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In this paper, a hybrid quasi-static atomistic simulation method at finite temperature is developed, which combines the advantages of MD for thermal equilibrium and atomic-scale finite element method (AFEM) for efficient equilibration. Some…

原子物理 · 物理学 2015-06-17 Ran Xu , Bin Liu

The microstructure and mechanical behavior of dual-phase steels are highly sensitive to the variation of the process (heat treatments). Online control by magnetic method is relevant. A measurement under applied stress must be considered.…

经典物理 · 物理学 2011-09-12 Frederick Mballa Mballa , Olivier Hubert , Said Lazreg , Philip Meilland

We explore the possibility for the reconstruction of the generative physical models describing interactions between atomic units in solids from observational electron microscopy data. Here, scanning transmission electron microscopy (STEM)…

材料科学 · 物理学 2021-02-02 M. Chakraborty , M. Ziatdinov , O. Dyck , S. Jesse , A. D. White , S. V. Kalinin

We studied dynamics of Au (001) surface in situ in 0.1 M HClO4 electrolyte solution using both coherent x-ray scattering and scanning tunneling microscopy (STM). The surface of Au (001) is known to reconstruct at cathodic potentials; the…

材料科学 · 物理学 2011-10-18 M. S. Pierce , V. Komanicky , A. Barbour , D. C. Hennessy , J. -D. Su , A. Sandy , C. Zhu , H. You

Fueled by the 5G revolution, the demand for advanced radio frequency micro-electromechanical systems (MEMS) based on AlScN is growing rapidly. However, synthesizing high-quality, textured AlScN thin films is challenging. Current approaches…

Most ceramic materials are known for high fracture toughness while reacting highly brittle to physical deformation. Some advancements were made by utilizing the transformation toughening effect of Yttria-doped Zirconia. However, finding a…

材料科学 · 物理学 2025-04-03 Justin Jetter , Eckhard Quandt

Monte Carlo (MC) simulations are powerful computational tools for investigating thermodynamic behavior and validating analytical approaches in complex physical systems. Here we present ETHER (Efficient Tool for THermodynamics Exploration…

强关联电子 · 物理学 2026-03-10 Mukesh Kumar Sharma

We present a computational framework for the simulations of powder-bed fusion of metallic alloys, which combines: (1) CalPhaD calculations of temperature-dependent alloy properties and phase diagrams, (2) macroscale finite element (FE)…

材料科学 · 物理学 2022-05-10 S. M. Elahi , R. Tavakoli , A. K. Boukellal , T. Isensee , I. Romero , D. Tourret

In this paper, we analyze the embedding cell method, an algorithm which has been developed for the numerical homogenization of metal-ceramic composite materials. We show the convergence of the iteration scheme of this algorithm and the…

数值分析 · 数学 2016-12-20 Wolf-Patrick Düll , Bastian Hilder , Guido Schneider

Further development of nuclear power plant technology relies heavily on materials durability under operating conditions. Estimating the materials performance in the operando tests is crucial. In this paper, the mechanical behavior of thin…

Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) investigations of sintered Al-Cu-Fe icosahedral quasicrystal (IQC) have been carried out to understand the origin of some ductility previously noticed within…

材料科学 · 物理学 2020-10-27 J. S Wu , Valerie Brien , P. Brunet , C. Dong , J. -M Dubois

A procedure is developed to rigorously decompose experimental loss spectra of medium-energy electrons reflected from solid surfaces into contributions due to surface and volume electronic excitations. This can be achieved by analysis of two…

材料科学 · 物理学 2009-11-11 Wolfgang S. M. Werner

Microelectromechanical systems (MEMS) have been applied to many measurement problems in physics, chemistry, biology and medicine. In parallel, cavity optomechanical systems have achieved quantum-limited displacement sensitivity and ground…

光学 · 物理学 2012-07-23 Houxun Miao , Kartik Srinivasan , Vladimir Aksyuk

Accurate temperature measurement at the nanoscale is crucial for thermal management in next-generation microelectronic devices. Existing optical and scanning-probe thermometry techniques face limitations in spatial resolution, accuracy, or…

The maximal entropy moment method (MEM) is systematic solution of the challenging problem: generating extended hydrodynamic equations valid for both dense and rarefied gases. However, simulating MEM suffers from a computational expensive…

流体动力学 · 物理学 2024-02-21 Candi Zheng , Wang Yang , Shiyi Chen

Numerical simulations are used in this work to investigate aspects of microstructure and microsegregation during rapid solidification of a Ni-based superalloy in a laser powder bed fusion additive manufacturing process. Thermal modeling by…

We present accurate many-body results of the electronic densities in several solid materials, including Si, NaCl, and Cu. These results are obtained using the ab initio auxiliary-field quantum Monte Carlo (AFQMC) method working in a…

材料科学 · 物理学 2021-02-24 Siyuan Chen , Mario Motta , Fengjie Ma , Shiwei Zhang

Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline…

This paper investigates the behaviour of colloidal suspensions of alumina particles during directional solidification, by in situ high-resolution observations using X-ray radiography and tomography. This second part is focussed on the…

We discuss a simple model of the melting kinetics along the solid-solid interface in eutectic and peritectic systems. The process is controlled by the diffusion inside the liquid phase and the existence of a triple junction is crucial for…

材料科学 · 物理学 2007-05-23 Efim A. Brener , D. E. Temkin