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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

Rapid solidification in Additively Manufactured (AM) metallic materials results in the development of significant microscale internal stresses, which are attributed to the printing induced dislocation substructures. The resulting backstress…

Materials Science · Physics 2024-05-29 Namit Pai , Indradev Samajdar , Anirban Patra

Many time-dependent deformation processes at elevated temperatures produce significant concurrent microstructure changes that can alter the mechanical properties in a profound manner. Such microstructure evolution is usually absent in…

Materials Science · Physics 2016-02-04 Pengyang Zhao , Thaddeus Song En Low , Yunzhi Wang , Stephen R. Niezgoda

The quasistatic behavior of a simple 2D model of a cohesive powder under isotropic loads is investigated by Discrete Element simulations. The loose packing states, as studied in a previous paper, undergo important structural changes under…

Materials Science · Physics 2008-10-27 Francisco Gilabert , Jean-Noël Roux , Antonio Castellanos

Feedstock deformation during 3D printing of continuous fiber composites is a critical challenge in path planning and a main driver in the generation of manufacturing defects. The proposed work addressed the feedstock deformation during the…

Computational Engineering, Finance, and Science · Computer Science 2026-05-06 Chady Ghnatios , Kazem Fayazbakhsh

Recrystallization is a phenomenon in which a plastically deformed polycrystalline microstructure with a high dislocation density transforms into another that has low dislocation density. This evolution is driven by the stored energy in…

We propose to incorporate grain boundary (GB) anisotropy in phase-field modeling by extending the standard partial differential equations formulation to include a nonlocal functional of an orientation field. Regardless of the number of…

Materials Science · Physics 2026-02-09 Xiao Han , Axel van de Walle

Combined high-energy X-ray diffraction microscopy (HEDM) and crystal plasticity finite element (CPFE) modeling studies have emerged as a preferred paradigm to shed insight into the evolution of elasticity and plasticity at the intragrain…

Materials Science · Physics 2026-02-10 Jeremiah Lethoba , Romain Quey , Darren C. Pagan , Matthew Kasemer

This paper investigates the statistical behavior of two-dimensional grain microstructures during grain growth under anisotropic grain boundary characters. We employ the threshold-dynamics method, which allows for unparalleled computational…

Materials Science · Physics 2023-09-19 Jaekwang Kim , Nikhil Chandra Admal

High energy x-ray diffraction microscopy was used to image the microstructure of $\alpha$-Fe before and after a 600 $^\circ$C anneal. These data were used to determine the areas, curvatures, energies, and velocities of approximately 40,000…

Graphene is well known for its extraordinary mechanical properties combining brittleness and ductility. While most mechanical studies of graphene focused on the strength and brittle fracture behavior, its ductility, plastic deformation, and…

Materials Science · Physics 2021-12-23 Wenquan Zhou , Jincheng Wang , Bo Lin , Zhijun Wang , Junjie Li , Zhi-Feng Huang

Nanocrystalline metals, i.e. metals in which the grain size is in the nanometer range, have a range of technologically interesting properties including increased hardness and yield strength. We present atomic-scale simulations of the…

Materials Science · Physics 2007-05-23 J. Schiøtz , T. Vegge , F. D. Di Tolla , K. W. Jacobsen

Fractal patterns are observed in computational mechanics of elastic-plastic transitions in two models of linear elastic/perfectly-plastic random heterogeneous materials: (1) a composite made of locally isotropic grains with weak random…

Statistical Mechanics · Physics 2015-05-13 J. Li , M. Ostoja-Starzewski

Significant grain growth is observed during the high-pressure phase transformations (PTs) at room temperature within an hour for various materials. However, no existing theory explains this phenomenon since nanocrystals do not grow at room…

The two-phase composite approach of Estrin et al. (1998) describes an evolving dislocation cell structure. Mckenzie et al. (2007) enhanced the model to capture the effects of hydrostatic pressure and temperature during severe plastic…

Materials Science · Physics 2013-03-08 C. B. Silbermann , A. V. Shutov , J. Ihlemann

A phase-field model is developed to simulate intergranular corrosion of ferritic/martensitic steels exposed to liquid lithium. The chromium concentration of the material is used to track the mass transport within the metal and liquid…

Chemical Physics · Physics 2025-06-04 A. Lhoest , S. Kovacevic , D. Nguyen-Manh , J. Lim , E. Martínez-Pañeda , M. Wenman

A formula of grain growth rate, based on a nonlinear capillarity-driven relation, is derived to predict and interpret realistic growth processes in polycrystalline systems. The derived formula reveals how the growth and stagnation of grains…

Materials Science · Physics 2017-12-12 Jianfeng Hu , Xianhao Wang

Solid polycrystalline materials undergoing diffusion creep are usually described by Cauchy continuum models with a Newtonian viscous rheology dependent on the grain size. Such a continuum lacks the rotational degrees of freedom needed to…

Materials Science · Physics 2021-09-15 John F. Rudge

Sintering is a pivotal technology for processing ceramic and metallic powders into solid objects. A profound understanding of microstructure evolution during sintering is essential for manufacturing products with tailored properties. While…

Materials Science · Physics 2024-12-06 Qingcheng Yang , Arkadz Kirshtein

The first hydrostatic core (FHSC) phase is a brief stage in the protostellar evolution that is difficult to detect. Our goal is to characterize the chemical evolution of gas and dust during the formation of the FHSC. Moreover, we are…