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A computational study of the growth of two-dimensional nematic spherulites in an isotropic phase was performed using a Landau-de Gennes type quadrupolar ensor order parameter model for the first-order isotropic/nematic transition of 5CB…

Chemical Physics · Physics 2008-11-29 Nasser Mohieddin Abukhdeir , Ezequiel R. Soule , Alejandro D. Rey

We review theoretical and simulational approaches to the description of equilibrium bulk crystal and interface properties as well as to the nonequilibrium processes of homogeneous and heterogeneous crystal nucleation for the simple model…

Soft Condensed Matter · Physics 2014-02-03 Francesco Turci , Tanja Schilling , Mohammad Hossein Yamani , Martin Oettel

The approach of nonequilibrium evolution thermodynamics earlier offered is developed. It helps to describe the processes of defect formation within the adiabatic approximation. The basic equations system depends on the initial defects…

Materials Science · Physics 2015-10-23 A. V. Khomenko , D. S. Troshchenko , L. S. Metlov

Mean-field models have the ability to predict grain size distribution evolution occurring through thermomechanical solicitations. This article focuses on a comparison of mean-field models under grain growth conditions. Different…

Materials Science · Physics 2023-10-31 Marion Roth , Baptiste Flipon , Nathalie Bozzolo , Marc Bernacki

Phase field simulations play a key role in the understanding of microstructure evolution in additive manufacturing. However, they have been found extremely computationally expensive. One of the reasons is the small time step requirement to…

Computational Physics · Physics 2025-08-01 Chaoqian Yuan , Chinnapat Panwisawas , Ye Lu

One of the major shortcomings of discrete element modelling (DEM) is the computational cost required when the number of particles is huge, especially for fine powders and/or industry scale simulations. This study investigates the scaling of…

Soft Condensed Matter · Physics 2015-06-04 Subhash C. Thakur , Jin Y. Ooi , Hossein Ahmadian

Investigations of directionally solidifying melt pools during metal additive manufacturing (AM) reveal that the resulting subgrain cellular structures often grow along crystalline orientations different from the temperature gradient…

Soft Condensed Matter · Physics 2025-01-16 Saurabh Tiwari , Supriyo Ghosh

Tumor growth beyond a critical size relies on the development of a functional vascular network, which ensures adequate oxygen and nutrient supply. In this work, we present a modeling framework based on an optimization-based 3D-1D coupling…

Numerical Analysis · Mathematics 2026-04-01 Chiara Giverso , Denise Grappein , Stefano Scialò

In this work, we investigate the shape evolution of rotated, embedded, initially cylindrical grains (with [001] cylinder axis) in Ni under an applied synthetic driving force via molecular dynamics simulations and a continuum,…

Materials Science · Physics 2024-08-28 Anqi Qiu , Caihao Qiu , Ian Chesser , Jian Han , David Srolovitz , Elizabeth Holm

Granular systems confined in vertically vibrated shallow horizontal boxes (quasi two-dimensional geometry) present a liquid to solid phase transition when the frequency of the periodic forcing is increased. An effective model, where grains…

Statistical Mechanics · Physics 2018-08-08 Dino Risso , Rodrigo Soto , Marcelo Guzman

We provide a numerical study of the macroscopic model of [3] derived from an agent-based model for a system of particles interacting through a dynamical network of links. Assuming that the network remodelling process is very fast, the…

Geological applications of phase-field methods for fracture are notably scarce. This work conducts a numerical examination of the applicability of standard phase-field models in reproducing jointing within sedimentary layers. We explore how…

A non-isothermal phase field model that captures both displacive and diffusive phase transformations in a unified framework is presented. The model is developed in a formal thermodynamic setting, which provides guidance on admissible…

Materials Science · Physics 2011-12-02 Mirko Maraldi , Garth N. Wells , Luisa Molari

The coarse-graining of amorphous plasticity from the atomistic to the mesoscopic scale is studied in the framework of a simple scalar elasto-plastic model. Building on recent results obtained on the atomistic scale, we discuss the interest…

We develop a description of diffusion limited growth in solid-solid transformations, which are strongly influenced by elastic effects. Density differences and structural transformations provoke stresses at interfaces, which affect the phase…

Materials Science · Physics 2008-11-18 M. Fleck , C. Hueter , D. Pilipenko , R. Spatschek , E. A. Brener

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

A phase-field crystal model based on the density-field approach incorporating high-order interparticle direct correlations is developed to study vapor-liquid-solid coexistence and transitions within a single continuum description.…

Materials Science · Physics 2020-10-21 Zi-Le Wang , Zhirong Liu , Zhi-Feng Huang , Wenhui Duan

Understanding the structure and dynamics of liquids is pivotal for the study of larger spatiotemporal processes, especially in glass-forming materials at low temperatures. Density scaling, observed in many molecular systems through…

Soft Condensed Matter · Physics 2024-10-29 Jaehyeok Jin , David R. Reichman , Jeppe C. Dyre , Ulf R. Pedersen

A model of multicellular systems with several types of cells is developed from the phase field model. The model is presented as a set of partial differential equations of the field variables, each of which expresses the shape of one cell.…

Biological Physics · Physics 2015-05-30 Makiko Nonomura

We implement an adaptive mesh algorithm for calculating the space and time dependence of the atomic density field during materials processing. Our numerical approach uses the systematic renormalization-group formulation of the phase field…