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The study of defect phases is important for designing nanostructured metals and alloys. Grain boundaries (GBs) form one class of defects that directly influence materials properties, such as deformability and strength. At the same time,…

材料科学 · 物理学 2023-03-20 P. Mathews , S. Zhang , C. Scheu , R. Janisch , J. Neugebauer , T. Hickel

Design of nuclear materials with high radiation-tolerance has great significance1, especially for the next generation of nuclear energy systems2,3. Response of nano- and poly-crystals to irradiation depends on the radiation temperature,…

An innovative image analysis technique is proposed to process real solar cell pictures, identify grains and grain boundaries in polycrystalline Silicon, and finally generate finite element meshes. Using a modified intrinsic cohesive zone…

材料科学 · 物理学 2014-10-02 Andrea Infuso , Mauro Corrado , Marco Paggi

Grain boundary chemistry plays a critical role for the properties of metals and alloys, yet there is a lack of consistent datasets for alloy design and development. With the advent of artificial intelligence and machine learning in…

材料科学 · 物理学 2025-02-11 Nutth Tuchinda , Gregory B. Olson , Christopher A. Schuh

It has been first proved the effect of grains merging during drawing deformation. This was done with example of producing a steel wire from rod manufactured by rolling with shear technology and was shown not only grain refinement but its…

材料科学 · 物理学 2015-08-11 Leonid Metlov , Anatoliy Zavdoveev , Elena Pashinska

Microcompression testing is used to probe the uniaxial stress-strain response of a nanocrystalline alloy, with an emphasis on exploring how grain size and grain boundary relaxation state impact the complete flow curve and failure behavior.…

材料科学 · 物理学 2014-08-26 Amirhossein Khalajhedayati , Timothy J. Rupert

Grain boundary roughness can affect electronic and mechanical properties of two-dimensional materials. This roughness depends crucially on the growth process by which the two-dimensional material is formed. To investigate the key mechanisms…

材料科学 · 物理学 2022-04-06 Fabio D. A. Aarão Reis , Bastien Marguet , Olivier Pierre-Louis

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,…

材料科学 · 物理学 2016-07-21 Jason F. Panzarino , Timothy J. Rupert

We describe a molecular dynamics framework for the direct calculation of the short-ranged structural forces underlying grain-boundary premelting and grain-coalescence in solidification. The method is applied in a comparative study of (i) a…

材料科学 · 物理学 2015-05-14 Saryu Fensin , David Olmsted , Dorel Buta , Mark Asta , Alain Karma , J. J. Hoyt

The need for advanced functional materials is expected to provide a boost in powder metallurgy, where the impurities on powder surfaces is incorporated as at grain boundary segregation. This paper has three aims. First, we analyze whether…

材料科学 · 物理学 2021-03-15 Wilfried Wunderlich

In the current work, we study the role of grain boundary (GB) misorientation-dependent segregation on austenite nucleation in a 50% cold rolled intercritically annealed 10Mn-0.05C-1.5Al (wt. %) medium Mn steel. During intercritical…

We present a two-dimensional granular model for the mechanical behavior of an ensemble of globular grains, during solidification. The grain structure is produced by a Voronoi tessellation based on an array of predefined nuclei. We consider…

材料科学 · 物理学 2009-08-25 Stéphane Vernède , Jonathan A. Dantzig , Michel Rappaz

The segregation of large spheres in a granular bed under vertical vibrations is studied. In our experiments we systematically measure rise times as a function of density, diameter and depth; for two different sinusoidal excitations. The…

统计力学 · 物理学 2009-11-10 D. A. Huerta , J. C. Ruiz-Suarez

Grain boundary energies in different elements are correlated. The proportional scaling constants relating the energies of crystallography-equivalent boundaries in any two f.c.c. elements are nearly constant, with the notable exception of…

材料科学 · 物理学 2023-02-14 Xiaopu Zhang , John J. Boland

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…

材料科学 · 物理学 2021-12-23 Wenquan Zhou , Jincheng Wang , Bo Lin , Zhijun Wang , Junjie Li , Zhi-Feng Huang

We present a theoretical study of the interaction of vacancies with a tilt grain boundary in aluminum based on the density functional theory. The grain boundary volume expansion and vacancy induced contraction are calculated and compared…

材料科学 · 物理学 2009-11-07 Gang Lu , Nicholas Kioussis

After a review of temperature-dependent experimental x-ray absorption near-edge structure (XANES) and related theoretical developments, we present the Al K-edge XANES spectra of corundum and beryl for temperature ranging from 300K to 930K.…

Previous research focused on two different mechanisms of microstructure stabilization in alloys: thermodynamic stabilization by reducing the grain boundary (GB) free energy and kinetic stabilization by suppressing the GB mobility by solute…

材料科学 · 物理学 2026-02-12 Omar Hussein , Yuri Mishin

Approach-to-equilibrium molecular dynamics simulations have been used to study thermal transport in nanocrystalline graphene sheets. Nanostructured graphene has been created using an iterative process for grain growth from initial seeds…

材料科学 · 物理学 2015-11-26 Konstanze R. Hahn , Claudio Melis , Luciano Colombo

Interfacial segregation and chemical short-range ordering influence the behavior of grain boundaries in complex concentrated alloys. In this study, we use atomistic modeling of a NbMoTaW refractory complex concentrated alloy to provide…