ATOMIC-SCALE

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Imaging atomic-scale chemistry from fused multi-modal electron microscopy被引量：1
《npj Computational Materials》2022年第1期164-171,共8页Jonathan Schwartz Zichao Wendy Di Yi Jiang Alyssa J.Fielitz Don-Hyung Ha Sanjaya D.Perera Ismail El Baggari Richard D.Robinson Jeffrey A.Fessler Colin Ophus Steve Rozeveld Robert Hovden 
R.H.and J.S.acknowledge support from the Army Research Office,Computing Sciences(W911NF-17-S-0002)and Dow Chemical Company;Work at the Molecular Foundry was supported by the Office of Basic Energy Sciences,of the U.S.Department of Energy under Contract no.DE-AC02-05CH11231.
Efforts to map atomic-scale chemistry at low doses with minimal noise using electron microscopes are fundamentally limited by inelastic interactions.Here,fused multi-modal electron microscopy offers high signal-to-noi...
关键词：MATERIALS CHEMISTRY FUSED 
Probing atomic-scale symmetry breaking by rotationally invariant machine learning of multidimensional electron scattering被引量：2
《npj Computational Materials》2021年第1期595-600,共6页Mark P.Oxley Maxim Ziatdinov Ondrej Dyck Andrew R.Lupini Rama Vasudevan Sergei V.Kalinin 
This research used resources of the Compute and Data Environment for Science(CADES)at the Oak Ridge National Laboratory,which is supported by the Office of Science of the U.S.Department of Energy under Contract No.DE-AC05-00OR22725.
The 4D scanning transmission electron microscopy(STEM)method maps the structure and functionality of solids on the atomic scale,yielding information-rich data sets describing the interatomic electric and magnetic fiel...
关键词：symmetry BREAKING ROTATIONAL 
Role of atomic-scale thermal fluctuations in the coercivity
《npj Computational Materials》2020年第1期1084-1090,共7页Yuta Toga Seiji Miyashita Akimasa Sakuma Takashi Miyake 
The microscopic mechanism of coercivity at finite temperature is a crucial issue for permanent magnets.Here we present the temperature dependence of the coercivity of an atomistic spin model for the highest-performanc...
关键词：THERMAL ACTIVATION MAGNETIZATION 
Closing the gap between atomic-scale lattice deformations and continuum elasticity被引量：1
《npj Computational Materials》2019年第1期737-745,共9页Marco Salvalaglio Axel Voigt Ken R.Elder 
M.S.acknowledges the support of the Postdoctoral Research Fellowship awarded by the Alexander von Humboldt Foundation;A.V.acknowledges support from the German Research Foundation under Grant no.Vo899/20 within SPP 1959;K.R.E.acknowledges financial support from the National Science Foundation under Grant No.DMR1506634.
Crystal lattice deformations can be described microscopically by explicitly accounting for the position of atoms or macroscopically by continuum elasticity.In this work,we report on the description of continuous elast...
关键词：LATTICE ELASTICITY MACROSCOPIC 
Atomic-scale structural signature of dynamic heterogeneities in metallic liquids被引量：1
《npj Computational Materials》2017年第1期179-188,共10页Alain Pasturel Noel Jakse 
the CINES and IDRIS under Project N°INP2227/72914 as well as PHYNUM CIMENT for computational resources;performed within the framework of the Centre of Excellence of Multifunctional Architectured Materials“CEMAM”n°ANR-10-LABX-44-01 funded by the“Investments for the Future”Program.
With sufficiently high cooling rates,liquids will cross their equilibrium melting temperatures and can be maintained in a metastable undercooled state before solidifying.Studies of undercooled liquids reveal several i...
关键词：STRUCTURAL DYNAMIC SIGNATURE 
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