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近期文章 更多 >>
  · 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
  · 非线性和非共线相变应变路径对相场模拟马氏体形核和生长的影响 2017-07-07
  · Understanding and designing magnetoelectricheterostructures guided by computation: prog... 2017-05-10
  · Facile measurement of single-crystal elastic constants from polycrystalline samples (以... 2017-05-10
  · A review: applications of the phase field method in predicting microstructure and prope... 2017-05-09
  · A phase field model for snow crystal growth in three dimensions (三维雪晶生长的相场模型) 2017-05-09
  · A high-throughput framework for determining adsorption energies on solid surfaces(测定... 2017-05-09
  · A three-dimensional polyhedral unit model for grain boundary structure in fcc metals(f... 2017-05-09
  · Computationally predicted energies and properties of defects in GaN(计算预测GaN晶体缺... 2017-05-09
  · Nanomaterials: A semiconductor with an enhanced signature(新型半导体纳米材料,让待检分... 2017-03-27
  · Mechanical properties of Fe-rich Si alloy from Hamiltonian (用哈密尔顿计算揭示富Fe硅合... 2017-03-17
  · Computational modeling sheds light on structural evolution in metallic glasses and supe... 2017-03-17
  · Effective mass and Fermi surface complexity factor from ab initio band structure calcul... 2017-03-17
  · Chemomechanical modeling of lithiation-induced failure in high-volume-change electrode ... 2017-03-17
  · Atomic structures of twin boundaries in hexagonal close-packed metallic crystals with p... 2017-03-17
  · Experimental verification of the ab initio phase transition sequence in SrZrO3 and comp... 2017-02-20
  · Quantum–continuum simulation of underpotential deposition at electrified metal–soluti... 2017-02-20
  · Wide-range ideal 2D Rashba electron gas with large spin splitting in Bi2Se3/MoTe2 heter... 2017-02-20
  · Comparison of dissimilarity measures for cluster analysis of X-ray diffraction data fro... 2017-02-20
  · Reentrant equilibrium disordering in nanoparticle–polymer mixtures (纳米颗粒–聚合物... 2017-02-20
  · Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machi... 2016-12-28
  · Charge carrier transition in an ambipolar single-molecule junction: Its mechanical-modu... 2016-12-28
  · Hydrogen bonding: a mechanism for tuning electronic and optical properties of hybrid or... 2016-11-11
  · Possible ground states and parallel magnetic-field-driven phase transitions of collinea... 2016-11-11
  · Autonomy in materials research: a case study in carbon nanotube growth (自主材料研究:... 2016-11-11
  · Softening of phonon spectra in metallic glasses(金属玻璃中声子谱的软化) 2016-11-11
  · Faceted interfaces: a key feature to quantitative understanding of transformation morph... 2016-10-08
  · Shift current bulk photovoltaic effect in polar materials—hybrid and oxide perovskites... 2016-10-08
  · A general-purpose machine learning framework for predicting properties of inorganic mat... 2016-10-08
  · Ab initio prediction of fast non-equilibrium transport of nascent polarons in SrI2: a k... 2016-10-08
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