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A massively parallel order-N electronic structure theory was constructed by an interdisciplinary research between physics, applied mathematics and computer science. (1) A high parallel efficiency with ten-million-atom nanomaterials was…

材料科学 · 物理学 2013-01-29 Takeo Hoshi , Yohei Akiyama , Tatsunori Tanaka , Takahisa Ohno

Deformation microstructure heterogeneities play a pivotal role during dislocation patterning and interface network restructuring. Thus, they affect indirectly how an alloy recrystallizes if at all. Given this relevance, it has become common…

计算工程、金融与科学 · 计算机科学 2020-06-24 Markus Kühbach , Franz Roters

A multiscale (micro-to-macro) analysis is proposed for the prediction of the finite strain behavior of composites with hyperelastic constituents and embedded localized damage. The composites are assumed to possess periodic microstructure…

材料科学 · 物理学 2020-10-20 Nathan Perchikov , Jacob Aboudi

We investigate the hot cracking susceptibility and creep resistance of three versions of a nickel-based superalloy with different contents of boron, carbon and zirconium fabricated by laser powder bed fusion. Crack-free and creep resistant…

Tau leptons serve as an important tool for studying the production of Higgs and electroweak bosons, both within and beyond the Standard Model of particle physics. Accurate reconstruction and identification of hadronically decaying tau…

高能物理 - 实验 · 物理学 2024-12-23 Laurits Tani , Nalong-Norman Seeba , Hardi Vanaveski , Joosep Pata , Torben Lange

The intricate microstructure serves as the cornerstone for the composition/processing-structure-property (CPSP) connection in multiphase alloys. Traditional alloy design methods often overlook microstructural details, which diminishes the…

材料科学 · 物理学 2024-09-05 Xudong Ma , Yuqi Zhang , Chenchong Wang , Ming Wang , Mingxin Huang , Wei Xu

A novel combination of data analysis techniques is proposed for the reconstruction of all tracks of primary charged particles, as well as of daughters of displaced vertices (decays, photon conversions, nuclear interactions), created in high…

仪器与探测器 · 物理学 2019-10-16 Ferenc Siklér

Atom probe tomography (APT) is ideally suited to characterize and understand the interplay of chemical segregation and microstructure in modern multicomponent materials. Yet, the quantitative analysis typically relies on human expertise to…

We study polymorph selection in a model of charged colloids, with a focus on the higher-order structure prior to and during nucleation. Specifically, we carry out molecular dynamics simulations of a repulsive Yukawa system with a slightly…

软凝聚态物质 · 物理学 2026-01-08 C. Patrick Royall

Nuclear matter at large number of colors is necessarily in a solid phase. In particular holographic nuclear matter takes the form of a crystal of instantons of the flavor group. In this article we initiate the analysis of the…

高能物理 - 理论 · 物理学 2021-07-28 Matti Jarvinen , Vadim Kaplunovsky , Jacob Sonnenschein

Grain boundaries (GBs) profoundly influence the properties and performance of materials, emphasizing the importance of understanding the GB structure and phase behavior. As recent computational studies have demonstrated the existence of…

材料科学 · 物理学 2025-01-28 Enze Chen , Tae Wook Heo , Brandon C. Wood , Mark Asta , Timofey Frolov

The electronic structure of materials is fundamentally governed by their crystal symmetry. While most research on two-dimensional materials has focused on hexagonal lattices, such as graphene, hexagonal boron nitride, and transition metal…

材料科学 · 物理学 2026-04-21 Zhonghui Han , Lanting Feng , Guodong Yu , Shengjun Yuan

The description of distributions related to grain microstructure helps physicists to understand the processes in materials and their properties. This paper presents a general statistical methodology for the analysis of crystallographic…

材料科学 · 物理学 2022-11-22 I. Karafiátová , J. Møller , Z. Pawlas , J. Staněk , F. Seitl , V. Beneš

Structural prediction for the discovery of novel materials is a long sought after goal of computational physics and materials sciences. The success is rather limited for methods such as the simulated annealing method (SA) that require…

材料科学 · 物理学 2023-02-08 Chuannan Li , Hanpu Liang , Yifeng Duan , Zijing Lin

Crystal structure prediction is now playing an increasingly important role in discovery of new materials. Global optimization methods such as genetic algorithms (GA) and particle swarm optimization (PSO) have been combined with first…

材料科学 · 物理学 2021-02-09 Jianjun Hu , Wenhui Yang , Rongzhi Dong , Yuxin Li , Xiang Li , Shaobo Li

We assess the performance of different jet-clustering algorithms, in the presence of different resolution parameters and reconstruction procedures, in resolving fully hadronic final states emerging from the chain decay of the discovered…

The low temperature autoclave aging behavior of zirconia toughened alumina composites processed by a classical powder mixing processing route was analyzed using atomic force microscopy (AFM), scanning electron microscopy and X-Ray…

The growth and microstructural properties of ternary monolayers of two-dimensional hexagonal materials are examined, including both individual two-dimensional crystalline grains and in-plane heterostructures, multijunctions, or…

材料科学 · 物理学 2022-07-06 Zhi-Feng Huang

Electron backscatter diffraction is a widely used technique for nano- to micro-scale analysis of crystal structure and orientation. Backscatter patterns produced by an alloy solid solution matrix and its ordered superlattice exhibit only…

材料科学 · 物理学 2020-10-13 Thomas P McAuliffe , David Dye , T Ben Britton

Crystal orientation mapping experiments typically measure orientations that are similar within grains and misorientations that are similar along grain boundaries. Such (mis)orientation data will cluster in (mis)orientation space and…