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近期文章 更多 >>
  · Temperature-dependent phonon spectra of magnetic random solid solutions (磁性随机固溶... 2018-04-09
  · Insight into point defects and impurities in titanium from first principles (基于第一... 2018-04-09
  · Efficient first-principles prediction of solid stability: Towards chemical accuracy(第... 2018-04-09
  · Displacement Current in Domain Walls of Bismuth Ferrite (铋铁氧体畴壁位错电流的研究) 2018-04-09
  · Bismuth and antimony-based oxyhalides and chalcohalides as potential optoelectronic mat... 2018-04-09
  · Automated generation and ensemble-learned matching of X-ray absorption spectra(X射线吸... 2018-04-09
  · An effective method to screen sodium-based layered materials for sodium ion batteries (... 2018-04-09
  · Active cell-matrix coupling regulates cellular force landscapes of cohesive epithelial ... 2018-04-09
  · Understanding the physical metallurgy of the CoCrFeMnNi high-entropy alloy: an atomisti... 2018-03-05
  · Adaptive design of an X-ray magnetic circular dichroism spectroscopy experiment with Ga... 2018-03-05
  · Accelerating evaluation of converged lattice thermal conductivity (对收敛点阵热导率的快... 2018-03-05
  · Theoretical potential for low energy consumption phase change memory utilizing electros... 2018-02-07
  · Rethinking phonons: The issue of disorder(对声子的重新思考:关于无序的问题) 2018-02-07
  · Machine learning in materials informatics: recent applications and prospects 2018-02-07
  · An efficient and accurate framework for calculating lattice thermal conductivity of sol... 2018-02-01
  · A universal strategy for the creation of machine learning-based atomistic force fields 2018-02-01
  · First-principles prediction of high-entropy-alloy stability 2018-02-01
  · First-principles screening of structural properties of intermetallic compounds on marte... 2018-02-01
  · Virtual screening of inorganic materials synthesis parameters with deep learning 2018-02-01
  · Theory, simulations and the design of functionalized nanoparticles for biomedical appli... 2018-02-01
  · Learning surface molecular structures via machine vision 2018-02-01
  · Towards efficient data exchange and sharing for big-data driven materials science: meta... 2018-02-01
  · The origin of uniaxial negative thermal expansion in layered perovskites(层状钙钛矿中单... 2017-12-07
  · Ferroic glasses (铁素玻璃) 2017-12-07
  · First-principles calculation of intrinsic defect chemistry and self-doping in PbTe(第一... 2017-12-07
  · Chemically intuited, large-scale screening of MOFs by machine learning techniques (通过... 2017-12-07
  · Metallic and highly conducting two-dimensional atomic arrays of sulfur enabled by molyb... 2017-11-23
  · Voltage-driven charge-mediated fast 180 degree magnetization switching in nanoheterostr... 2017-11-23
  · Phonon broadening in high entropy alloys(高熵合金中的声子宽频化) 2017-11-23
  · Atomic-scale structural signature of dynamic heterogeneities in metallic liquids(金属液... 2017-10-13
  · Construction of ground-state preserving sparse lattice models for predictive materials ... 2017-10-13
  · Hydrogen embrittlement of grain boundaries in nickel: an atomistic study (镍晶界的氢脆... 2017-10-13
  · Empirical interatomic potentials optimized for phonon properties (针对声子性能研究优化... 2017-10-13
  · Data analytics using canonical correlation analysis and Monte Carlo simulation(基于正则... 2017-10-13
  · Dislocations interaction induced structural instability in intermetallic Al2Cu (金属间... 2017-10-13
  · Ultra-large-scale phase-field simulation study of ideal grain growth (理想晶粒生长的超... 2017-10-13
  · Atomic and electronic basis for the serrations of refractory high-entropy alloys(难熔性... 2017-10-12
  · 太阳能电池中高转换效率有机铅染料:基于当前计算模拟的创新设计、确保未来的可再生能源 2017-07-07
  · Continuum understanding of twin formation near grain boundaries of FCC metals with low ... 2017-07-07
  · Thermodynamic potential and phase diagram for multiferroic bismuth ferrite (BiFeO3) (... 2017-07-07
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