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A thermodynamic approach to rapid phase transformations within a diffuse interface in a binary system is developed. Assuming an extended set of independent thermodynamic variables formed by the union of the classic set of slow variables and…

Materials Science · Physics 2009-11-10 Peter Galenko , David Jou

We study charge and heat transport in the square lattice Hubbard model at strong coupling using the finite-temperature Lanczos method. We construct the diffusion matrix and estimate the effect of thermoelectric terms on diffusive and…

Strongly Correlated Electrons · Physics 2023-10-13 Martin Ulaga , Jernej Mravlje , Jure Kokalj

In this paper, we derive an effective model for transport processes in periodically perforated elastic media, taking into account, e.g., cyclic elastic deformations as they occur in lung tissue due to respiratory movement. The underlying…

Analysis of PDEs · Mathematics 2022-06-15 Jonas Knoch , Markus Gahn , Maria Neuss-Radu , Nicolas Neuß

The theory of elastic magnets is formulated under possible diffusion and heat flow governed by Fick's and Fourier's laws in the deformed (Eulerian) configuration, respectively. The concepts of nonlocal nonsimple materials and viscous…

Mathematical Physics · Physics 2018-05-09 Tomas Roubicek , Giuseppe Tomassetti

Making sense of complex inhomogeneous systems composed of many interacting species is a grand challenge that pervades basically all natural sciences. Phase separation and pattern formation in reaction-diffusion systems have been largely…

Soft Condensed Matter · Physics 2025-06-04 Joshua F. Robinson , Thomas Machon , Thomas Speck

In this article, a finite element model is implemented to analyze hydro-thermal convective flow in a porous medium. The mathematical model encompasses Darcy's law for incompressible fluid behavior, which is coupled with a…

Numerical Analysis · Mathematics 2024-02-27 S. M. Mallikarjunaiah , Dambaru Bhatta

The Flory-Huggins theory is a well-established lattice model that is commonly used to study the mixing of distinct chemical species. It can successfully predict phase separation phenomena in blends of incompatible materials. However, it is…

Materials Science · Physics 2025-12-19 Maxime Siber , Olivier J. J. Ronsin , Jens Harting

This paper concerns with finite element approximations of a quasi-static poroelasticity model in displacement-pressure formulation which describes the dynamics of poro-elastic materials under an applied mechanical force on the boundary. To…

Numerical Analysis · Mathematics 2014-12-01 Xiaobing Feng , Zhihao Ge , Yukun Li

This paper investigates the structure-property relations of thin-walled lattices under dynamic longitudinal compression, characterized by their cross-sections and heights. These relations elucidate the interactions of different geometric…

Machine Learning · Computer Science 2022-12-22 Junyan He , Shashank Kushwaha , Diab Abueidda , Iwona Jasiuk

Thin film growth is investigated in two types of lattice gas models where substrate and film particles are different, expressed by unequal interaction energy parameters. The first is of solid-on-solid type, whereas the second type…

Soft Condensed Matter · Physics 2021-02-17 Eelco Empting , Miriam Klopotek , Alexander Hinderhofer , Frank Schreiber , Martin Oettel

We introduce a simple and efficient model to describe the potential energy surface of lithium diffusing in a solid-state ionic conductor. First, we assume that the Li atoms are fully ionized and we neglect the weak dependence of the…

Materials Science · Physics 2019-02-07 Leonid Kahle , Aris Marcolongo , Nicola Marzari

Lateral diffusion of molecules on surfaces plays a very important role in various biological processes, including lipid transport across the cell membrane, synaptic transmission and other phenomena such as exo- and endocytosis, signal…

Analysis of PDEs · Mathematics 2013-11-12 A. B. Duncan , C. M. Elliott , G. A. Pavliotis , A. M. Stuart

We used nonequilibrium molecular dynamics simulations to study the shear deformation of metallic composites composed of alternating layers of Cu and Au. Our simulations reveal the formation of "vortices" or "swirls" if the bimaterial…

Materials Science · Physics 2020-01-15 Adrien Gola , Ruth Schwaiger , Peter Gumbsch , Lars Pastewka

On the basis of a previous theoretical approach to the plastic flow of highly refined materials, a physical explanation for diffusion bonding is essayed, which yields closed--form equations relating the bonding progress with time,…

Materials Science · Physics 2010-07-02 Miguel Lagos , César Retamal

The evolution of the microstructure due to spinodal decomposition in phase separated mixtures has a strong impact on the final material properties. In the late stage of coarsening, the system is characterized by the growth of a single…

Soft Condensed Matter · Physics 2021-12-09 Björn König , Olivier J. J. Ronsin , Jens Harting

The static and dynamic properties of a Cosserat-type lattice interface of finite thickness are studied, so that both displacements and rotational degrees of freedom are taken into account. The model allows considering interfaces with a…

Materials Science · Physics 2010-05-02 Aleksey A. Vasiliev , Andrey E. Miroshnichenko , Massimo Ruzzene

A continuum model of crystalline solid equilibrium is presented in which the underlying periodic lattice structure is taken explicitly into account. This model also allows for both point and line defects in the bulk of the lattice and at…

Materials Science · Physics 2009-10-31 Paolo Cermelli , Shaun Sellers

This work describes three diffuse-interface methods for the simulation of immiscible, compressible multiphase fluid flows and elastic-plastic deformation in solids. The first method is the localized-artificial-diffusivity approach of Cook…

Computational Physics · Physics 2021-09-21 Suhas S. Jain , Michael C. Adler , Jacob R. West , Ali Mani , Parviz Moin , Sanjiva K. Lele

We present a phenomenological treatment of diffusion-driven martensitic phase transformations in multi-component crystalline solids that arise from non-convex free energies in mechanical and chemical variables. The treatment describes…

Chemical Physics · Physics 2016-09-29 Shiva Rudraraju , Anton Van der Ven , Krishna Garikipati

We present a novel hybrid computational method to simulate accurately dendritic solidification in the low undercooling limit where the dendrite tip radius is one or more orders of magnitude smaller than the characteristic spatial scale of…

Materials Science · Physics 2009-10-31 Mathis Plapp , Alain Karma
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