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% Encoding: UTF-8
@Article{Caginalp1989,
author = {Caginalp, G.},
title = {Stefan and Hele-Shaw type models as asymptotic limits of the phase-field equations},
journal = {Phys. Rev. A},
year = {1989},
volume = {39},
issue = {11},
pages = {5887--5896},
doi = {10.1103/PhysRevA.39.5887},
month = {06},
file = {:Caginalp1989.pdf:PDF},
groups = {Phasefield, P1},
modificationdate = {2022-03-24T15:49:32},
numpages = {0},
publisher = {American Physical Society},
}
@Article{Karma1998,
author = {Karma, Alain and Rappel, Wouter-Jan},
title = {Quantitative phase-field modeling of dendritic growth in two and three dimensions},
journal = {Phys. Rev. E},
year = {1998},
volume = {57},
issue = {4},
pages = {4323--4349},
doi = {10.1103/PhysRevE.57.4323},
month = {Apr},
file = {:Karma1998.pdf:PDF},
groups = {Asymptotics, Phasefield, P1},
modificationdate = {2022-03-24T15:49:30},
numpages = {0},
publisher = {American Physical Society},
}
@Article{Almgren1999,
author = {Robert F. Almgren},
title = {Second-Order Phase Field Asymptotics for Unequal Conductivities},
journal = {SIAM Journal on Applied Mathematics},
year = {1999},
volume = {59},
number = {6},
pages = {2086--2107},
issn = {00361399},
url = {http://www.jstor.org/stable/118417},
abstract = {We extend Karma and Rappel's improved asymptotic analysis of the phase field model to different diffusivities in solid and liquid. We consider both second-order "classical" asymptotics, in which the interface thickness is taken much smaller than the capillary length, and the new "isothermal" asymptotics, in which the two lengths are considered comparable. In the first case, if the phase field model is required to be gradient flow for an entropy functional, then for unequal diffusivities it is impossible to construct a phase equation with finite kinetics which converges with second-order accuracy to a Gibbs-Thomson equilibrium condition with infinitely fast kinetics. In the second case, some error terms are pushed to higher orders, and it is easy to eliminate the remaining errors with finite phase kinetics.},
file = {:Almgren1999.pdf:PDF},
groups = {Asymptotics, Phasefield, P1},
modificationdate = {2022-03-24T15:49:28},
publisher = {Society for Industrial and Applied Mathematics},
readstatus = {read},
}
@Article{Folch1999,
author = {Folch, R. and Casademunt, J. and Hern\'andez-Machado, A. and Ram\'{\i}rez-Piscina, L.},
title = {Phase-field model for Hele-Shaw flows with arbitrary viscosity contrast. I. Theoretical approach},
journal = {Phys. Rev. E},
year = {1999},
volume = {60},
issue = {2},
pages = {1724--1733},
doi = {10.1103/PhysRevE.60.1724},
month = {Aug},
file = {:Folch1999.pdf:PDF},
groups = {Phasefield, Curvature},
modificationdate = {2022-03-24T15:49:26},
numpages = {0},
publisher = {American Physical Society},
}
@Article{Folch1999a,
author = {Folch, R. and Casademunt, J. and Hern\'andez-Machado, A. and Ram\'{\i}rez-Piscina, L.},
title = {Phase-field model for Hele-Shaw flows with arbitrary viscosity contrast. II. Numerical study},
journal = {Phys. Rev. E},
year = {1999},
volume = {60},
issue = {2},
pages = {1734--1740},
doi = {10.1103/PhysRevE.60.1734},
month = {Aug},
file = {:Folch1999a.pdf:PDF},
groups = {Phasefield},
modificationdate = {2022-03-24T15:49:38},
numpages = {0},
publisher = {American Physical Society},
}
@Article{Kim1999,
author = {Kim, Seong and Kim, Won and Suzuki, Toshio},
title = {Phase-Field Model for Binary Alloys},
journal = {Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics},
year = {1999},
volume = {60},
pages = {7186-97},
doi = {10.1103/PhysRevE.60.7186},
month = dec,
file = {:Kim1999.pdf:PDF},
groups = {Phasefield},
publisher = {American Physical Society ({APS})},
}
@Article{Echebarria2004,
author = {Echebarria, Blas and Folch, Roger and Karma, Alain and Plapp, Mathis},
title = {Quantitative phase-field model of alloy solidification},
journaltitle = {Phys. Rev. E},
date = {2004-12},
volume = {70},
issue = {6},
pages = {061604},
doi = {10.1103/PhysRevE.70.061604},
file = {:Echebarria2004.pdf:PDF},
groups = {Asymptotics, Phasefield, P1},
modificationdate = {2022-03-24T15:50:32},
numpages = {22},
publisher = {American Physical Society},
}
@Article{Jamet2008,
author = {Jamet, D. and Misbah, C.},
title = {Thermodynamically consistent picture of the phase-field model of vesicles: Elimination of the surface tension},
journal = {Phys. Rev. E},
year = {2008},
volume = {78},
issue = {4},
pages = {041903},
doi = {10.1103/PhysRevE.78.041903},
month = {Oct},
file = {:Jamet2008.pdf:PDF},
groups = {Phasefield, Curvature, P1},
modificationdate = {2022-03-24T15:50:34},
numpages = {12},
publisher = {American Physical Society},
}
@Book{Provatas2010,
author = {Nikolas Provatas and Ken Elder},
title = {Phase-Field Methods in Materials Science and Engineering},
year = {2010},
publisher = {Wiley-{VCH} Verlag {GmbH} {\&} Co. {KGaA}},
doi = {10.1002/9783527631520},
file = {:Provatas2010.pdf:PDF;:PF_2010_provatas_elder - Phase-Field Methods in Materials Science and Engineering2.pdf:PDF},
groups = {Asymptotics, Phasefield, P1},
month = {oct},
}
@Article{Plapp2011,
author = {Plapp, Mathis},
title = {Unified derivation of phase-field models for alloy solidification from a grand-potential functional},
journal = {Physical Review E},
year = {2011},
volume = {84},
number = {3},
issue = {3},
doi = {10.1103/PhysRevE.84.031601},
month = {Sep},
file = {:Plapp2011.pdf:PDF},
groups = {Asymptotics, Phasefield, Grandpotential, P1},
modificationdate = {2022-03-24T15:50:36},
numpages = {15},
publisher = {American Physical Society ({APS})},
readstatus = {read},
}
@Article{Nicoli2011,
author = {Nicoli, Matteo and Plapp, Mathis and Henry, Herv\'e},
title = {Tensorial mobilities for accurate solution of transport problems in models with diffuse interfaces},
journal = {Phys. Rev. E},
year = {2011},
volume = {84},
issue = {4},
pages = {046707},
doi = {10.1103/PhysRevE.84.046707},
month = {Oct},
file = {:Nicoli2011.pdf:PDF},
groups = {Phasefield, P1},
modificationdate = {2022-03-24T15:50:38},
numpages = {6},
publisher = {American Physical Society},
}
@Article{Badillo2012,
author = {Badillo, Arnoldo},
title = {Quantitative phase-field modeling for boiling phenomena},
journal = {Phys. Rev. E},
year = {2012},
volume = {86},
issue = {4},
pages = {041603},
doi = {10.1103/PhysRevE.86.041603},
month = {Oct},
file = {:Badillo2012.pdf:PDF},
groups = {Phasefield, Curvature},
modificationdate = {2022-03-24T15:50:39},
numpages = {25},
publisher = {American Physical Society},
}
@Article{Safari2013,
author = {Safari, Hesameddin and Rahimian, Mohammad Hassan and Krafczyk, Manfred},
title = {Extended lattice Boltzmann method for numerical simulation of thermal phase change in two-phase fluid flow},
journal = {Phys. Rev. E},
year = {2013},
volume = {88},
issue = {1},
pages = {013304},
doi = {10.1103/PhysRevE.88.013304},
month = {Jul},
file = {:Safari2013.pdf:PDF},
groups = {LBM},
numpages = {12},
publisher = {American Physical Society},
}
@Article{Ohno2016,
author = {Ohno, Munekazu and Takaki, Tomohiro and Shibuta, Yasushi},
title = {Variational formulation and numerical accuracy of a quantitative phase-field model for binary alloy solidification with two-sided diffusion},
journal = {Phys. Rev. E},
year = {2016},
volume = {93},
issue = {1},
pages = {012802},
doi = {10.1103/PhysRevE.93.012802},
month = {Jan},
file = {:Ohno2016.pdf:PDF},
groups = {Phasefield, P1},
modificationdate = {2022-03-24T15:50:41},
numpages = {20},
publisher = {American Physical Society},
readstatus = {read},
}
@Article{Cartalade2016,
author = {Alain Cartalade and Amina Younsi and Mathis Plapp},
title = {Lattice Boltzmann simulations of 3D crystal growth: Numerical schemes for a phase-field model with anti-trapping current},
journal = {Computers \& Mathematics with Applications},
year = {2016},
volume = {71},
number = {9},
pages = {1784-1798},
issn = {0898-1221},
doi = {https://doi.org/10.1016/j.camwa.2016.02.029},
abstract = {A lattice-Boltzmann (LB) scheme, based on the Bhatnagar-Gross-Krook (BGK) collision rules is developed for a phase-field model of alloy solidification in order to simulate the growth of dendrites. The solidification of a binary alloy is considered, taking into account diffusive transport of heat and solute, as well as the anisotropy of the solid-liquid interfacial free energy. The anisotropic terms in the phase-field evolution equation, the phenomenological anti-trapping current (introduced in the solute evolution equation to avoid spurious solute trapping), and the variation of the solute diffusion coefficient between phases, make it necessary to modify the equilibrium distribution functions of the LB scheme with respect to the one used in the standard method for the solution of advection-diffusion equations. The effects of grid anisotropy are removed by using the lattices D3Q15 and D3Q19 instead of D3Q7. The method is validated by direct comparison of the simulation results with a numerical code that uses the finite-difference method. Simulations are also carried out for two different anisotropy functions in order to demonstrate the capability of the method to generate various crystal shapes.},
file = {:Cartalade2016.pdf:PDF},
groups = {LBM, Phasefield, P1},
keywords = {Lattice Boltzmann equation, Phase-field model, Anisotropic crystal growth, Anti-trapping current, Dilute binary mixture},
modificationdate = {2022-03-24T15:50:43},
readstatus = {read},
}
@Article{Bringedal2020,
author = {Bringedal, Carina and von Wolff, Lars and Pop, Iuliu},
title = {Phase Field Modeling of Precipitation and Dissolution Processes in Porous Media: Upscaling and Numerical Experiments},
journal = {Multiscale Modeling \& Simulation},
year = {2020},
volume = {18},
month = {01},
pages = {1076-1112},
doi = {10.1137/19M1239003},
file = {:Bringedal2020.pdf:PDF},
groups = {Phasefield, P1, Dissolution},
}
@Article{Verdier2020,
author = {Verdier, Werner and Kestener, Pierre and Cartalade, Alain},
title = {Performance portability of lattice Boltzmann methods for two-phase flows with phase change},
journal = {Computer Methods in Applied Mechanics and Engineering},
year = {2020},
volume = {370},
pages = {113266},
issn = {0045-7825},
doi = {10.1016/j.cma.2020.113266},
month = {Oct},
file = {:Verdier2020.pdf:PDF},
groups = {LBM, Phasefield, P1},
modificationdate = {2022-03-24T15:50:46},
publisher = {Elsevier BV},
readstatus = {skimmed},
}
@Article{Boutin2022,
author = {T\'eo Boutin and Werner Verdier and Alain Cartalade},
title = {Grand-potential-based phase-field model of dissolution/precipitation: Lattice Boltzmann simulations of counter term effect on porous medium},
journal = {Computational Materials Science},
year = {2022},
volume = {207},
pages = {111261},
issn = {0927-0256},
doi = {10.1016/j.commatsci.2022.111261},
file = {:Boutin2022.pdf:PDF},
groups = {Asymptotics, LBM, Phasefield, Grandpotential, MyPapers, Dissolution},
keywords = {Phase-field model, Grand-potential, Lattice Boltzmann method, Dissolution-precipitation, Porous media, code},
modificationdate = {2022-03-24T15:50:48},
}
@Article{Bhatnagar1954,
author = {Bhatnagar, P. L. and Gross, E. P. and Krook, M.},
title = {A Model for Collision Processes in Gases. I. Small Amplitude Processes in Charged and Neutral One-Component Systems},
journal = {Phys. Rev.},
year = {1954},
volume = {94},
issue = {3},
pages = {511--525},
doi = {10.1103/PhysRev.94.511},
month = {May},
groups = {LBM},
keywords = {rank2, prio1, skimmed},
numpages = {0},
priority = {prio3},
publisher = {American Physical Society},
}
@Article{Ginzburg2005,
author = {Irina Ginzburg},
title = {Generic boundary conditions for lattice Boltzmann models and their application to advection and anisotropic dispersion equations},
journal = {Advances in Water Resources},
year = {2005},
volume = {28},
number = {11},
pages = {1196-1216},
issn = {0309-1708},
doi = {10.1016/j.advwatres.2005.03.009},
abstract = {We address a “multi-reflection” approach to model Dirichlet and Neumann time-dependent boundary conditions in lattice Boltzmann methods for arbitrarily shaped surfaces. The multi-reflection condition for an incoming population represents a linear combination of the known population solutions. The closure relations are first established for symmetric and anti-symmetric parts of the equilibrium functions, independently of the nature of the problem. The symmetric part is tuned to build second- and third-order accurate Dirichlet boundary conditions for the scalar function specified by the equilibrium distribution. The focus is on two approaches to advection and anisotropic-dispersion equations (AADE): the equilibrium technique when the coefficients of the expanded equilibrium functions match the coefficients of the transformed dispersion tensor, and the eigenvalue technique when the coefficients of the dispersion tensor are built as linear combinations of the eigenvalue functions associated with the link-type collision operator. As a particular local boundary technique, the “anti-bounce-back” condition is analyzed. The anti-symmetric part of the generic closure relation allows to specify normal flux conditions without inversion of the diffusion tensor. Normal and tangential constraints are derived for bounce-back and specular reflections. The bounce-back closure relation is released from the non-physical tangential flux restriction at leading orders. Solutions for the Poisson equation and for convection-diffusion equations are presented for isotropic/anisotropic configurations with specified Dirichlet and Neumann boundary conditions.},
file = {:Ginzburg2005.pdf:PDF},
groups = {LBMBoundaries},
keywords = {Lattice Boltzmann equation, Advection anisotropic dispersion equation, Chapman-Enskog expansion, Dirichlet boundary conditions, Specified flux conditions, Knudsen layer, Bounce-back, Specular-reflection, Multi-reflection},
modificationdate = {2022-03-24T15:50:51},
}
@Article{Zheng2006,
author = {Zheng, H. and Shu, Chang and Chew, Y.T.},
title = {A Lattice Boltzmann model for multiphase flows with large density ratio},
journal = {Journal of Computational Physics},
year = {2006},
volume = {218},
pages = {353-371},
doi = {10.1016/j.jcp.2006.02.015},
month = {10},
file = {:Zheng2006.pdf:PDF},
groups = {LBM, P1},
modificationdate = {2022-03-24T15:50:53},
}
@Article{Servan-Camas2008,
author = {Servan-Camas, Borja and Tsai, Frank},
title = {Lattice Boltzmann method with two relaxation times for advection-diffusion equation: Third order analysis and stability analysis},
journal = {Advances in Water Resources - ADV WATER RESOUR},
year = {2008},
volume = {31},
pages = {1113-1126},
doi = {10.1016/j.advwatres.2008.05.001},
month = {08},
file = {:Servan-Camas2008.pdf:PDF},
groups = {TRT},
modificationdate = {2022-03-24T15:50:55},
}
@Article{Seta2013,
author = {Seta, Takeshi},
title = {Implicit temperature-correction-based immersed-boundary thermal lattice Boltzmann method for the simulation of natural convection},
journal = {Phys. Rev. E},
year = {2013},
volume = {87},
issue = {6},
pages = {063304},
doi = {10.1103/PhysRevE.87.063304},
month = {Jun},
file = {:Seta2013.pdf:PDF},
groups = {LBM},
modificationdate = {2022-03-24T15:50:56},
numpages = {16},
publisher = {American Physical Society},
}
@Book{Kruger2017,
author = {Timm Kr{\"u}ger and Halim Kusumaatmaja and Alexandr Kuzmin and Orest Shardt and Goncalo Silva and Erlend Magnus Viggen},
title = {The Lattice Boltzmann Method},
year = {2017},
publisher = {Springer International Publishing},
doi = {10.1007/978-3-319-44649-3},
file = {:Krueger2017.pdf:PDF},
groups = {TRT, MRT, LBMBoundaries, P1},
modificationdate = {2022-03-24T15:51:29},
readstatus = {read},
}
@Article{Edwards2014,
author = {H. Carter Edwards and Christian R. Trott and Daniel Sunderland},
title = {Kokkos: Enabling manycore performance portability through polymorphic memory access patterns},
journal = {Journal of Parallel and Distributed Computing},
year = {2014},
volume = {74},
number = {12},
pages = {3202 - 3216},
issn = {0743-7315},
doi = {https://doi.org/10.1016/j.jpdc.2014.07.003},
groups = {Kokkos},
modificationdate = {2022-03-24T15:48:55},
}
@Book{Hahn2012,
author = {David W. Hahn and M. Necati {\"O}zi{\c{s}}ik},
title = {Heat Conduction},
year = {2012},
publisher = {John Wiley {\&} Sons, Inc.},
doi = {10.1002/9781118411285},
file = {:Hahn2012.pdf:PDF},
groups = {Others, P1},
month = {aug},
review = {solutions for 1D finite length with dirichelt conditions:
Ex 8-5 p. 320 (338 pdf)
sol Eq 8-95 p. 322 (340 pdf)},
}
@Article{Liu2021,
author = {Guangwei Liu and Jinfeng Zhang and Qinghe Zhang},
title = {A high-performance three-dimensional lattice Boltzmann solver for water waves with free surface capturing},
journal = {Coastal Engineering},
year = {2021},
volume = {165},
pages = {103865},
issn = {0378-3839},
doi = {https://doi.org/10.1016/j.coastaleng.2021.103865},
abstract = {The lattice Boltzmann method (LBM) is a numerical method with high parallel computational efficiency. However, currently few 3D numerical wave model based on LBM can be widely applied to water wave simulations in coastal engineering due to several problems related to numerical instability and numerical accuracy. To develop a high-performance 3D LBM solver for water wave simulations with free surface capture, a new 3D collision operator with sufficient numerical stability for wave simulation is first proposed. Then, wave generation and active wave absorption methods for the volume of fluid coupled with LBM are implemented in the solver to ensure accurate wave motion. The performances of this solver and other popular numerical wave solvers are analyzed and compared. The parameters of the numerical model are tested and determined to simulate wave transformation around structures. Through the comparison with three benchmark physical experiments, the accuracy of the presented solver proves that the present model is a promising tool for wave propagation and transformation simulation in practice. Benchmark tests and comparisons with the IHFoam and SPHysics solvers prove that the 3D LBM solver developed in this paper has a very good computational efficiency and parallel scalability. Overall, the work in this paper provides a new high-performance 3D solver for water wave simulations with free surface capturing for coastal and ocean engineering applications.},
file = {:Liu2021.pdf:PDF},
groups = {LBM},
keywords = {Lattice Boltzmann method, 3D collision operator, 3D numerical wave simulation, High-performance computing, Wave generation and active absorption, Free surface model},
}
@Article{Karma2001,
author = {Karma, Alain},
title = {Phase-Field Formulation for Quantitative Modeling of Alloy Solidification},
journal = {Phys. Rev. Lett.},
year = {2001},
volume = {87},
issue = {11},
pages = {115701},
doi = {10.1103/PhysRevLett.87.115701},
month = {Aug},
file = {:Karma2001.pdf:PDF},
groups = {Asymptotics, Phasefield, P1},
numpages = {4},
publisher = {American Physical Society},
}
@Article{Noble1998,
author = {Noble, David and Torczynski, J.},
title = {A Lattice-Boltzmann Method for Partially Saturated Computational Cells},
journal = {International Journal of Modern Physics C - IJMPC},
year = {1998},
volume = {9},
pages = {1189-1201},
doi = {10.1142/S0129183198001084},
month = {12},
file = {:Noble1998.pdf:PDF},
groups = {LBMBoundaries},
priority = {prio1},
readstatus = {skimmed},
}
@Article{Ginzburg2010,
author = {Ginzburg, Irina and Dhumieres, Dominique and Kuzmin, Alexander},
title = {Optimal Stability of Advection-Diffusion Lattice Boltzmann Models with Two Relaxation Times for Positive/Negative Equilibrium},
journal = {Journal of Statistical Physics},
year = {2010},
volume = {139},
pages = {1090-1143},
doi = {10.1007/s10955-010-9969-9},
month = {06},
file = {:Ginzburg2010.pdf:PDF},
groups = {TRT},
}
@Article{Maugis1997,
author = {Maugis, Philippe and Hopfe, William and Morral, J. and Kirkaldy, J.},
title = {Multiple interface velocity solutions for ternary biphase infinite diffusion couples},
journal = {Acta Materialia - ACTA MATER},
year = {1997},
volume = {45},
pages = {1941-1954},
doi = {10.1016/S1359-6454(96)00321-7},
month = {05},
file = {:Maugis1997.pdf:PDF},
groups = {Diffusion-couple-instability, P1, Stefan},
priority = {prio2},
readstatus = {read},
}
@Article{Heulens2011,
author = {Heulens, Jeroen and Blanpain, Bart and Moelans, Nele},
title = {Phase-field analysis of a ternary two-phase diffusion couple with multiple analytical solutions},
journal = {Acta Materialia - ACTA MATER},
year = {2011},
volume = {59},
pages = {3946-3954},
doi = {10.1016/j.actamat.2011.03.020},
month = {06},
file = {:Heulens2011.pdf:PDF},
groups = {Phasefield, Diffusion-couple-instability},
priority = {prio1},
readstatus = {skimmed},
}
@Article{Boettinger2000,
author = {Boettinger, William and Coriell, S. and Campbell, C. and McFadden, Geoffrey},
title = {On the properties of $\alpha/\alpha+\beta$ ternary diffusion couples},
journal = {Acta Materialia - ACTA MATER},
year = {2000},
volume = {48},
pages = {481-492},
doi = {10.1016/S1359-6454(99)00357-2},
month = {01},
file = {:Boettinger2000.pdf:PDF},
groups = {Diffusion-couple-instability},
}
@Article{Heulens2011a,
author = {Heulens, Jeroen and Blanpain, Bart and Moelans, Nele},
title = {A phase field model for isothermal crystallization of oxide melts},
journal = {Acta Materialia - ACTA MATER},
year = {2011},
volume = {59},
doi = {10.1016/j.actamat.2010.12.016},
month = {02},
file = {:Heulens2011a.pdf:PDF},
groups = {Phasefield},
}
@Article{Hoyt2020,
author = {J.J. Hoyt},
title = {Analysis of morphological stability in ternary two-phase diffusion couples},
journal = {Journal of Crystal Growth},
year = {2020},
volume = {549},
pages = {125850},
issn = {0022-0248},
doi = {10.1016/j.jcrysgro.2020.125850},
abstract = {It has been established that, under certain conditions, the flat interphase boundary separating two ternary phases can be become morphologically unstable during the interdiffusion process. By a direct analogy with the constitutional supercooling criterion in alloy solidification, it has been proposed that the instability in ternary two-phase diffusion couples occurs when either or both diffusion paths enter into the two-phase region of the phase diagram. In this work a linear stability analysis of the diffusion problem is performed and the conditions for stability are expressed in terms of the diffusion coefficients, the slopes of the concentration profiles at the interface, and the system free energy as a function of composition. Through the use of a model ternary system, various examples of unstable interfaces are illustrated. It is found that the crossing of a diffusion path into the two-phase coexistence region is a necessary, but not sufficient condition for instability.},
file = {:Hoyt2020.pdf:PDF},
groups = {Diffusion-couple-instability},
keywords = {A1. Diffusion, A1. Morphological stability, A1. Phase diagrams},
}
@Article{Coates1971,
author = {D. E. Coates and J. S. Kirkaldy},
title = {Morphological stability of $\alpha$-$\beta$ phase interfaces in the Cu-Zn-Ni system at 775{\textdegree}C},
journal = {Metallurgical and Materials Transactions B},
year = {1971},
volume = {2},
number = {12},
pages = {3467--3477},
doi = {10.1007/bf02811629},
month = dec,
file = {:Coates1971.pdf:PDF},
groups = {Diffusion-couple-instability, Experimental, CuZnNi},
publisher = {Springer Science and Business Media {LLC}},
}
@Article{Kirkaldy1962,
author = {J.S. Kirkaldy and D.G. Fedak},
title = {Nonplanar interfaces in two-phase ternary diffusion couples},
journal = {AIME TRANS},
year = {1962},
volume = {224},
number = {3},
pages = {490--494},
file = {:Kirkaldy1962.pdf:PDF},
groups = {Diffusion-couple-instability},
}
@Article{Coates1968,
author = {D.E. Coates and J.S. Kirkaldy},
title = {Phase interface stability in isothermal ternary systems},
journal = {Journal of Crystal Growth},
year = {1968},
volume = {3-4},
pages = {549-554},
issn = {0022-0248},
doi = {10.1016/0022-0248(68)90222-4},
abstract = {The morphological stability of moving planar phase interfaces in isothermal ternary systems is investigated. A quantitative stability criterion based on the concept of constitutional supersaturation is derived. This criterion is compared with a more comprehensive stability criterion which results from the application of perturbation methods.},
file = {:Coates1968.pdf:PDF},
groups = {Diffusion-couple-instability},
}
@Article{Engstroem1997,
author = {A. Engstr\"{o}m and J.E. Morral and J. \AA gren},
title = {Computer simulations of Ni-Cr-Al multiphase diffusion couples},
journal = {Acta Materialia},
year = {1997},
volume = {45},
number = {3},
pages = {1189-1199},
issn = {1359-6454},
doi = {10.1016/S1359-6454(96)00219-4},
abstract = {A model for simulating diffusion in multiphase dispersions is here applied to NiCrAl multiphase diffusion couples at 1200°C. All simulations are based on the assumption that the γ-phase is continuous throughout the whole diffusion couple with β and/or γ' as secondary phases. Further, the model is incorporated into the DICTRA software, which means that the simulations are based upon critically assessed thermodynamic and kinetic data. Diffusion paths are predicted for several different types of diffusion couple. The simulation results are in general agreement with both experimental as well as theoretical findings and it is concluded that the present model can be applied to predict interdiffusion in important industrial applications, e.g. high temperature coatings.},
file = {:Engstroem1997.pdf:PDF},
groups = {Diffusion-couple-instability},
}
@Article{Mohanty2006,
author = {R. R. Mohanty and Y. Sohn},
title = {Phase-field investigation of multicomponent diffusion in single-phase and two-phase diffusion couples},
journal = {Journal of Phase Equilibria and Diffusion},
year = {2006},
volume = {27},
number = {6},
pages = {676--683},
doi = {10.1007/bf02736572},
month = dec,
file = {:Mohanty2006.pdf:PDF},
groups = {Phasefield, Diffusion-couple-instability},
publisher = {Springer Science and Business Media {LLC}},
}
@Article{Chen1994,
author = {Long-Qing Chen and Ryoichi Kikuchi},
title = {Can up-hill diffusion occur in a binary diffusion-couple above the critical spinodal instability temperature? - The role of the gradient energy},
journal = {Scripta Metallurgica et Materialia},
year = {1994},
volume = {30},
number = {4},
pages = {453-456},
issn = {0956-716X},
doi = {https://doi.org/10.1016/0956-716X(94)90602-5},
file = {:Chen1994.pdf:PDF},
groups = {Phasefield},
}
@Article{Cahn1968,
author = {Cahn, John},
title = {Spinodal decomposition. 1967 Institute of metals lecture},
journal = {Trans. Met. Soc. AIME},
year = {1968},
volume = {242},
doi = {10.1002/9781118788295.ch10},
month = {10},
file = {:Cahn1968.pdf:PDF},
groups = {Phasefield},
isbn = {9780873394161},
}
@Article{Choudhury2012,
author = {Choudhury, Abhik and Nestler, Britta},
title = {Grand-potential formulation for multicomponent phase transformations combined with thin-interface asymptotics of the double-obstacle potential},
journal = {Phys. Rev. E},
year = {2012},
volume = {85},
issue = {2},
pages = {021602},
doi = {10.1103/PhysRevE.85.021602},
month = {Feb},
file = {:Choudhury2012.pdf:PDF},
groups = {Asymptotics, Phasefield, Grandpotential, P1},
numpages = {16},
publisher = {American Physical Society},
}
@Article{Nestler2011,
author = {Nestler, Britta and Choudhury, Abhik},
title = {Phase-field modeling of multi-component systems},
journal = {Current Opinion in Solid State \& Materials Science - CURR OPIN SOLID STATE MAT SCI},
year = {2011},
volume = {15},
pages = {93-105},
doi = {10.1016/j.cossms.2011.01.003},
month = {06},
file = {:Nestler2011.pdf:PDF},
groups = {Phasefield},
}
@Article{Keiser2017,
author = {Keiser, L. and Bense, H. and Colinet, P. and Bico, J. and Reyssat, E.},
title = {Marangoni Bursting: Evaporation-Induced Emulsification of Binary Mixtures on a Liquid Layer},
journal = {Phys. Rev. Lett.},
year = {2017},
volume = {118},
issue = {7},
pages = {074504},
doi = {10.1103/PhysRevLett.118.074504},
month = {Feb},
file = {:Keiser2017.pdf:PDF},
groups = {Experimental, Marangoni},
numpages = {5},
publisher = {American Physical Society},
}
@Article{Goldman2005,
author = {Goldman, Ronald},
title = {Curvature formulas for implicit curves and surfaces},
journal = {Computer Aided Geometric Design},
year = {2005},
volume = {22},
pages = {632-658},
doi = {10.1016/j.cagd.2005.06.005},
month = {10},
file = {:Goldman2005.pdf:PDF},
groups = {Others},
}
@TechReport{Grambow1987,
author = {Grambow, B.},
title = {Nuclear waste glass dissolution: Mechanism, model and application},
institution = {Swedish nuclear fuel and waste management co},
year = {1987},
note = {JSS-TR--87-02},
pages = {121},
url = {http://inis.iaea.org/search/search.aspx?orig_q=RN:19082323},
address = {Sweden},
file = {:Grambow1987.pdf:PDF},
groups = {GlassChemistry},
}
@Article{Gin2008,
author = {St\'ephane Gin and Christophe J\'egou and Pierre Frugier and Yves Minet},
title = {Theoretical consideration on the application of the Aagaard-Helgeson rate law to the dissolution of silicate minerals and glasses},
journal = {Chemical Geology},
year = {2008},
volume = {255},
number = {1},
pages = {14-24},
issn = {0009-2541},
doi = {10.1016/j.chemgeo.2008.05.004},
file = {:Gin2008.pdf:PDF},
groups = {GlassChemistry},
keywords = {Silicate, Kinetics, Rate law, Glass, Aagaard-Helgeson, Transition state theory},
}
@Article{Grambow1984,
author = {Grambow, B.},
title = {A General Rate Equation for Nuclear Waste Glass Corrosion},
journal = {MRS Online Proceedings Library},
year = {1984},
volume = {44},
number = {1},
pages = {15-27},
issn = {1946-4274},
doi = {10.1557/PROC-44-15},
month = {Dec},
abstract = {A general rate equation was developed to describe the reaction of nuclear waste glasses with aqueous solutions as a function of pH, the ratio of sample surface area to solution volume, temperature, time, glass- and solution composition. Thermodynamic and kinetic models have been combined in a new model. Glass network dissolution, pH variation, precipitation of stable or metastable solid reaction products, silica saturation at the glass and solution interface (reaction zone) and a residual affinity for the long term reaction under near saturation conditions have been addressed. The model has been successfully used to interpret a great number of experimental data reported in literature.},
day = {01},
groups = {GlassChemistry, GlassModels},
}
@Article{Grambow2001,
author = {Grambow, Bernd and Muller, R.},
title = {First-Order Dissolution Rate Law and the Role of Surface Layers in Glass Performance Assessment},
journal = {Journal of Nuclear Materials},
year = {2001},
volume = {298},
pages = {112-124},
doi = {10.1016/S0022-3115(01)00619-5},
month = {09},
file = {:Grambow2001.pdf:PDF},
groups = {GlassChemistry},
}
@Article{Aagaard1982,
author = {Aagaard, Per and Helgeson, Harold C.},
title = {Thermodynamic and kinetic constraints on reaction rates among minerals and aqueous solutions; I, Theoretical considerations},
journal = {American Journal of Science},
year = {1982},
volume = {282},
number = {3},
pages = {237--285},
issn = {0002-9599},
doi = {10.2475/ajs.282.3.237},
eprint = {https://www.ajsonline.org/content/282/3/237.full.pdf},
file = {:Aagaard1982.pdf:PDF},
groups = {Chemistry},
publisher = {American Journal of Science},
review = {Page 19 : schematic dissolution},
}
@Article{Geisler2015,
author = {Thorsten Geisler and Thorsten Nagel and Matt R. Kilburn and Arne Janssen and Jonathan P. Icenhower and Raúl O.C. Fonseca and Marion Grange and Alexander A. Nemchin},
title = {The mechanism of borosilicate glass corrosion revisited},
journal = {Geochimica et Cosmochimica Acta},
year = {2015},
volume = {158},
pages = {112-129},
issn = {0016-7037},
doi = {10.1016/j.gca.2015.02.039},
abstract = {Currently accepted mechanistic models describing aqueous corrosion of borosilicate glasses are based on diffusion-controlled hydrolysis, hydration, ion exchange reactions, and subsequent re-condensation of the hydrolyzed glass network, leaving behind a residual hydrated glass or gel layer. Here, we report results of novel oxygen and silicon isotope tracer experiments with ternary Na borosilicate glasses that can be better explained by a process that involves the congruent dissolution of the glass, which is spatially and temporally coupled to the precipitation and growth of an amorphous silica layer at an inwardly moving reaction interface. Such a process is thermodynamically driven by the solubility difference between the glass and amorphous silica, and kinetically controlled by glass dissolution reactions at the reaction front, which, in turn, are controlled by the transport of water and solute elements through the growing corrosion zone. Understanding the coupling of these reactions is the key to understand the formation of laminar or more complex structural and chemical patterns observed in natural corrosion zones of ancient glasses. We suggest that these coupled processes also have to be considered to realistically model the long-term performance of silicate glasses in aqueous environments.},
file = {:Geisler2015.pdf:PDF},
groups = {GlassChemistry},
}
@Book{Prigogine1962,
author = {Prigogine, I. and Defay, R.},
title = {Chemical Thermodynamics},
year = {1962},
publisher = {Wiley},
isbn = {9780471700357},
url = {https://books.google.fr/books?id=8wsJAQAAIAAJ},
file = {:Prigogine1962.djvu:Djvu},
groups = {Chemistry},
}
@Article{Defay1977,
author = {R Defay and I Prigogine and A Sanfeld},
title = {Surface thermodynamics},
journal = {Journal of Colloid and Interface Science},
year = {1977},
volume = {58},
number = {3},
pages = {498-510},
issn = {0021-9797},
doi = {10.1016/0021-9797(77)90159-X},
abstract = {A general survey of the thermodynamics of surfaces is presented. Three domains are investigated: (a) the case where the entropy production is reduced to adsorption and chemical reaction, with the equilibrium as a special case; (b) the linear nonequilibrium thermodynamics initiated by Onsager; (c) the nonlinear region characterized by an excess entropy production. In some cases, far from equilibrium, the surface may become unstable after a threshold. Self-organization such as space and temporal dissipative structures may then occur in the surface.},
file = {:Defay1977.pdf:PDF},
groups = {Chemistry},
}
@Article{Liu2021a,
author = {Liu, Geng and Lee, Taehun},
title = {Diffuse bounce back condition for lattice Boltzmann method},
journal = {Computers and Fluids},
year = {2021},
volume = {220},
pages = {104884},
doi = {10.1016/j.compfluid.2021.104884},
month = {04},
file = {:Liu2021a.pdf:PDF},
groups = {LBMBoundaries},
}
@InBook{Xu1998,
author = {Xu, Jian-Jun},
title = {Unidirectional Solidification and the Mullins-Sekerka Instability},
booktitle = {Interfacial Wave Theory of Pattern Formation: Selection of Dendritic Growth and Viscous Fingering in Hele-Shaw Flow},
year = {1998},
publisher = {Springer Berlin Heidelberg},
isbn = {978-3-642-80435-9},
pages = {27--67},
doi = {10.1007/978-3-642-80435-9_2},
abstract = {Before we begin the study of dendritic growth, it is appropriate to examine a simple case first: the instability of a planar interface in unidirectional solidification. Mullins and Sekerka were the first, in 1963, to perform a systematic analysis of this system. Their linear stability analysis is now called the Mullins-Sekerka instability [2.1].},
address = {Berlin, Heidelberg},
file = {:Xu1998.pdf:PDF},
groups = {SolidLiquidphasechange},
}
@Article{Mullins1963,
author = {Mullins,W. W. and Sekerka,R. F.},
title = {Morphological Stability of a Particle Growing by Diffusion or Heat Flow},
journal = {Journal of Applied Physics},
year = {1963},
volume = {34},
number = {2},
pages = {323-329},
doi = {10.1063/1.1702607},
file = {:Mullins1963.pdf:PDF},
groups = {SolidLiquidphasechange},
}
@PhdThesis{Pablo2017,
author = {Pablo, H\'el\`ene},
title = {Diffusion chimique dans les verres borosilicates d'intérêt nucléaire},
year = {2017},
note = {Thèse de doctorat dirigée par Roskosz, Mathieu et Toplis, Michael J. Physique et Chimie des matériaux Paris, Muséum national d'histoire naturelle 2017},
url = {http://www.theses.fr/2017MNHN0014},
file = {:Pablo2017.pdf:PDF},
groups = {Experimental, GlassChemistry, Diffusion},
review = {Diffusion coefs : p92 (117)
p 96(121)
main and secondary diff:
main = Si <> Na
secondary = B+Na <> Si},
school = {École doctorale Sciences de la nature et de l'Homme - Évolution et écologie (Paris)},
}
@Article{Kang2022,
author = {Kang, Dong Hun and Yun, Tae Sup},
title = {Local hybrid Allen-Cahn model in phase-field lattice Boltzmann method for incompressible two-phase flow},
journal = {Phys. Rev. E},
year = {2022},
volume = {105},
issue = {4},
pages = {045307},
doi = {10.1103/PhysRevE.105.045307},
month = {Apr},
groups = {MRT, Phasefield},
numpages = {18},
publisher = {American Physical Society},
}
@Article{Bollada2022,
author = {Bollada, Peter C. and Jimack, Peter K. and Mullis, Andrew M.},
title = {Towards a Physically Consistent Phase-Field Model for Alloy Solidification},
journal = {Metals},
year = {2022},
volume = {12},
number = {2},
issn = {2075-4701},
doi = {10.3390/met12020272},
abstract = {We give an overview of contributions made to the computational phase-field modelling of alloy solidification from the University of Leeds as part of the LiME project (EPSRC Advanced Manufacturing Hub in Liquid Metal Engineering). The broader look at the more salient features from our research allows the individual contributions to be seen in a wider context than can be seen from each contribution separately. We begin with a general introduction to phase-field and then reference the numerical issues that arise from the solution of the model before outlining contributions to phase-field modelling that we found most interesting or significant. These range from controlling and developing interface-width independent modelling; controlling morphology in both single and multiphase settings; generalising from single to multiphase models; and creating a thermodynamically consistent framework for modelling entropy flow and thereby postulating a temperature field consistent with the concepts of, and applicable in, multiphase and density-dependent settings.},
article-number = {272},
file = {:Bollada2022.pdf:PDF},
groups = {Phasefield},
}
@Article{Gin2020,
author = {Gin, S. and Mir, A. H. and Jan, A. and Delaye, J. M. and Chauvet, E. and De Puydt, Y. and Gourgiotis, A. and Kerisit, S.},
title = {A General Mechanism for Gel Layer Formation on Borosilicate Glass under Aqueous Corrosion},
journal = {The Journal of Physical Chemistry C},
year = {2020},
volume = {124},
number = {9},
pages = {5132-5144},
issn = {1932-7447},
doi = {10.1021/acs.jpcc.9b10491},
month = {Mar},
day = {05},
file = {:Gin2020.pdf:PDF;:Gin2020_gel_forma_BSi_support.pdf:PDF},
groups = {GlassChemistry},
publisher = {American Chemical Society},
}
@Article{Kane1969,
author = {T.R. Kane and M.P. Scher},
title = {A dynamical explanation of the falling cat phenomenon},
journal = {International Journal of Solids and Structures},
year = {1969},
volume = {5},
number = {7},
pages = {663-670},
issn = {0020-7683},
doi = {10.1016/0020-7683(69)90086-9},
groups = {Others},
}
@Article{Gouze2014,
author = {B. Gouze and J. Cambedouzou and S. Parrès-Maynadié and D. Rébiscoul},
title = {How hexagonal mesoporous silica evolves in water on short and long term: Role of pore size and silica wall porosity},
journal = {Microporous and Mesoporous Materials},
year = {2014},
volume = {183},
pages = {168-176},
issn = {13871811},
doi = {10.1016/j.micromeso.2013.08.041},
month = {1},
abstract = {In this study, we have determined the evolution of the morphology and the structure of mesoporous silica MCM41 and SBA15 in saturation condition during short and long term alteration by water at 60 C. These materials were characterized using in situ/ex situ Small Angle X-ray Scattering (SAXS), and ex-situ by nitrogen adsorption-desorption and 29Si Nuclear Magnetic Resonance (NMR). The results have shown that MCM41 lost its hexagonal order of pores. This phenomenon has been attributed to a change of the pore shape probably due to the dissolution of silica wall and to the recondensation of hydrolysed silica on the pore surface leading also to a partial pore clogging at high alteration progress. In the case of SBA15, as soon as the porous silica is in contact with water, an altered silica layer is formed at the pore surface and dissolved at a rate of 120 nm year-1 leading to a pore size increase. When an equilibrium between dissolution and recondensation of the silica is reached, the silica dissolution rate strongly decreases (7 nm year-1) and the altered layer growth follows a diffusive process with a diffusion coefficient of D = 1.4 × 10-24 m2 s-1. The differences of evolution between the two silica are explained by their different pore diameter and the presence of microporosity in the case of SBA15. © 2013 Elsevier Inc. All rights reserved.},
file = {:Gouze2014.pdf:PDF},
groups = {Experimental, GlassChemistry, Sol-Gel},
keywords = {In situ SAXS,Mesoporous silica,Silica alteration,Water},
publisher = {Elsevier},
}
@Book{Ojovan2014,
author = {Ojovan, M.I. and Lee, W.E.},
title = {An Introduction to Nuclear Waste Immobilisation: Second Edition},
year = {2014},
publisher = {Elsevier},
isbn = {9780080993928},
pages = {1-362},
doi = {10.1016/c2012-0-03562-4},
groups = {NuclearWasteStorage},
}
@InBook{Ojovan2014_17,
author = {Ojovan, M.I. and Lee, W.E.},
title = {Immobilisation of Radioactive Waste in Glass},
booktitle = {An Introduction to Nuclear Waste Immobilisation},
year = {2014},
publisher = {Elsevier},
isbn = {9780080993928},
pages = {245–282},
doi = {10.1016/b978-0-08-099392-8.00017-6},
file = {:Ojovan2014.pdf:PDF},
groups = {NuclearWasteStorage},
}
@Article{Jiang2022,
author = {Fei Jiang and Haihu Liu and Xian Chen and Takeshi Tsuji},
title = {A coupled LBM-DEM method for simulating the multiphase fluid-solid interaction problem},
journal = {Journal of Computational Physics},
year = {2022},
volume = {454},
pages = {110963},
issn = {10902716},
doi = {10.1016/j.jcp.2022.110963},
month = {4},
abstract = {In this paper, we develop a numerical model for simulating the solid-liquid-gas three-phase flow in unconsolidated particle layers. Based on the discrete element method (DEM) and the multiphase fluid model in the framework of the lattice Boltzmann method (LBM), a multiphase fluid-solid two-way coupling algorithm is proposed. In this model, the fluid-fluid interface is tracked using a phase-field method, and the multiphase fluid-particle interaction is tackled by a combination of the momentum exchange method for the flow field and the immersed boundary method for the phase field. We applied the method to simulate the upward migration of the leaked gas bubbles through a brine-filled sediment column at the seafloor, and investigated the influences of the leak flow rate and the interfacial tension on the bubble rising behavior. The results indicate three different flow regimes: connected finger flow, transition flow, and dispersed bubbly flow. These flow regimes can be distinguished by the dimensionless Eötvös and Weber numbers. The proposed numerical method can accurately characterize various multiphase interaction mechanisms at the mesoscopic scale and has powerful advantages in simulating complex fluid-particle coupling problems.},
file = {:Jiang2022.pdf:PDF},
groups = {MRT},
keywords = {Discrete element method,Gas-liquid-solid three-phase interaction,Immersed boundary method,Lattice Boltzmann method},
publisher = {Academic Press Inc.},
}
@Article{Perko2014,
author = {Janez Perko and Ravi A. Patel},
title = {Single-relaxation-time lattice Boltzmann scheme for advection-diffusion problems with large diffusion-coefficient heterogeneities and high-advection transport},
journal = {Physical Review E - Statistical, Nonlinear, and Soft Matter Physics},
year = {2014},
volume = {89},
issue = {5},
pages = {053309},
issn = {15502376},
doi = {10.1103/PhysRevE.89.053309},
month = {5},