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Related papers: Probing Non-Equilibrium Grain Boundary Dynamics wi…

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Recognition of the role of extended defects on local phase transitions has led to the conceptualization of the defect phase, localized thermodynamically stable interfacial states that have since been applied in a myriad of material systems…

Materials Science · Physics 2025-06-17 W. Streit Cunningham , Tianjiao Lei , Hannah C. Howard , Timothy J Rupert , Daniel S. Gianola

X-ray photon correlation spectroscopy (XPCS) is a powerful tool for the investigation of dynamics covering a broad range of time and length scales. The two-time correlation function (TTC) is commonly used to track non-equilibrium dynamical…

Soft Condensed Matter · Physics 2024-06-19 Anastasia Ragulskaya , Vladimir Starostin , Fajun Zhang , Christian Gutt , Frank Schreiber

PBD and its extension, XPBD, have been predominantly applied to compliant constrained elastodynamics, with their potential in finite strain (visco-) elastoplasticity remaining underexplored. XPBD is often perceived to stand in contrast to…

Graphics · Computer Science 2024-09-17 Chang Yu , Xuan Li , Lei Lan , Yin Yang , Chenfanfu Jiang

Anisotropic core-shell model of a nano-grained polycrystal is extended to estimate the effective elastic stiffness of several metals of hexagonal crystal lattice symmetry. In the approach the bulk nanocrystalline material is described as a…

Computational Physics · Physics 2020-09-22 Katarzyna Kowalczyk-Gajewska , Marcin Maździarz

Sophisticated thin film growth techniques increasingly rely on the addition of a plasma component to open or widen a processing window, particularly at low temperatures. However, the addition of the plasma into the growth environment also…

Deformation heterogeneities within microstructures of polycrystalline shape memory alloys (SMAs) during superelastic stressing are studied using both experiments and simulations. In situ X-ray diffraction, specifically the far-field high…

Solute decoration at grain boundaries (GB) leads to a number of phenomenon such as changes in interface structure,mobility,cohesion etc.Recent experimental investigations on interfacial segregation in steels are based on microstructural…

Materials Science · Physics 2022-03-01 Mainak Saha

Friction is ubiquitous in daily life, from nanoscale machines to large engineering components. By probing the intricate interplay between system parameters and frictional behavior, scientists seek to unveil the underlying mechanisms that…

Materials Science · Physics 2025-11-26 Yulong Li , Peter Gumbsch , Christian Greiner

We present here a detailed numerical study of the dynamical behaviour of `soft' uncompressed grains in a granular chain where the grains interact via the intrinsically nonlinear Hertz force. It is well known that such a chain supports the…

Computational Physics · Physics 2015-07-07 Michelle Przedborski , Thad A. Harroun , Surajit Sen

A multi-phase field model is employed to study the microstructural evolution of an alloy undergoing liquid dealloying. The model proposed extends upon the original approach of Geslin et al. to consider dealloying in the presence of grain…

Materials Science · Physics 2023-08-07 Nathan Bieberdorf , Mark D. Asta , Laurent Capolungo

The control of granular materials, showing up in many industrial applications, is a challenging open research problem. Granular material systems are complex-behavior (as they could have solid-, fluid-, and gas-like behaviors) and…

Optimization and Control · Mathematics 2023-02-08 Yuichiro Aoyama , Amin Haeri , Evangelos A. Theodorou

We present quantum-based simulations of single grain boundary reflectivity of electrons in metals, Cu and Ag. We examine twin and non-twin grain boundaries using non-equilibrium Green's function and first principles methods. We also…

Mesoscale and Nanoscale Physics · Physics 2010-06-18 Baruch Feldman , Seongjun Park , Michael Haverty , Sadasivan Shankar , Scott T. Dunham

In light of the race towards macroscale superlubricity of graphitic contacts, the effect of grain boundaries on their frictional properties becomes of central importance. Here, we elucidate the unique frictional mechanisms characterizing…

Mesoscale and Nanoscale Physics · Physics 2020-08-04 Xiang Gao , Wengen Ouyang , Oded Hod , Michael Urbakh

An important challenge in robotics is understanding the interactions between robots and deformable terrains that consist of granular material. Granular flows and their interactions with rigid bodies still pose several open questions. A…

Machine Learning · Computer Science 2021-11-22 Amin Haeri , Krzysztof Skonieczny

Multiscale systems are ubiquitous in science and technology, but are notoriously challenging to simulate as short spatiotemporal scales must be appropriately linked to emergent bulk physics. When expensive high-dimensional dynamical systems…

Machine Learning · Computer Science 2025-12-30 Quercus Hernandez , Max Win , Thomas C. O'Connor , Paulo E. Arratia , Nathaniel Trask

The grain boundary-mediated mechanisms that control plastic deformation of nanocrystalline metals should cause evolution of the grain boundary network, since they directly alter misorientation relationships between crystals. Unfortunately,…

Materials Science · Physics 2016-07-21 Jason F. Panzarino , Timothy J. Rupert

Coarse-graining (CG) of molecular simulations simplifies the particle representation by grouping selected atoms into pseudo-beads and drastically accelerates simulation. However, such CG procedure induces information losses, which makes…

Machine Learning · Computer Science 2022-06-20 Wujie Wang , Minkai Xu , Chen Cai , Benjamin Kurt Miller , Tess Smidt , Yusu Wang , Jian Tang , Rafael Gómez-Bombarelli

The plastic events occurring during the process of intergranular fracture in metals is still not well understood due to the complexity of grain boundary (GB) structures and their interactions with crack-tip dislocation plasticity. By…

Materials Science · Physics 2024-10-29 Kai Zhao , Yu Ding , Haiyang Yu , Jianying He , Zhiliang Zhang

Data based materials science is the new promise to accelerate materials design. Especially in computational materials science, data generation can easily be automatized. Usually, the focus is on processing and evaluating the data to derive…

Materials Science · Physics 2022-04-28 Martin Kroll , Timo Schmalofski , Holger Dette , Rebecca Janisch

We investigate analytically and numerically the interaction between grain boundaries and second phase precipitates in two-phase coherent solids in the presence of misfit strain. Our numerical study uses amplitude equations that describe the…

Materials Science · Physics 2016-11-02 Yechuan Xu , Pierre-Antoine Geslin , Alain Karma