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中文摘要：
本项目旨在对金属合金的结构与性能进行第一性原理计算, 模拟, 以及系统的实验研究, 其目标是从原子和电子结构的层次阐明金属合金相形成, 以及金属材料的结构与性能间关系的规律; 探索金属物理的理论向定量化发展。以二元金属系统为主, 逐步扩展到多元系统; 并以新型特种非晶和其它亚稳合金, 高密度信息存储磁性材料及其应用作为研究的重点。
结论摘要：
英文主题词ab initio calculation, n-body potential, molecular dyanmics,thermodynamics, micromagnetic simulation
成果综合统计
期刊论文
会议论文
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期刊论文
CONFIRMATION OF THE NONEQUILIBRIUM STATES OF AB3 TYPE IN AN IMMISCIBLE Y-Ta SYSTEM BY AB INITIO CALC
COMPARATIVE STUDY OF NONEQUILIBRIUM PHASE OF A3B AND AB3 TYPESWITH FIRST PRINCIPLES AND THERMODYNAMI
METASTABLE PHASE FORMATION IN THE IMMISCIBLE Ru-Pd SYSTEM STUDIED BY AB INITIO CALCULATION AND ION M
ION BEAM INDUCED GROWTH OF AMORPHOUS ALLOY FILMS IN THE Co-Nb SYSTEM DURING ION BEAM ASSISTED DEPOSI
METASTABILITY OF AN IMMISCIBLE CU-MO SYSTEM CALCULATED FROM FIRST-PRINCIPLES AND A DERIVED N-BODY PO
STRUCTURAL PHASE TRANSITIONS IN THE CU-BASED CU-V SOLID SOLUTIONS STUDIED BY MOLECULAR DYNAMICS SIMU
STRUCTURAL STABILITY OF METASTABLE SOLID SOLUTION IN THEEQUILIBRIUM IMMISCIBLE Ag-Mo SYSTEM PREDICTE
STRUCTURAL STABILITY AND THE CORRELATION OF LATTICE CONSTANT VERSUS TANTALUM CONCENTRATION OF THE Ag
COMPARATIVE STUDY OF METASTABLE PHASE FORMATION IN THE IMMISCIBLE CU-W SYSTEM BY AB INITIO CALCULATI
CALCULATION OF PHONON SPECTRA TO PREDICT THE HIGH-PRESSURE METASTABLE PHASE IN AN EQUILIBRIUM IMMISC
PROPOSED DEFINITION OF MICROCHEMICAL INHOMOGENEITY AND APPLICATION TO CHARACTERIZE SOME SELECTED MIS
GLASS-FORMING ABILITY DETERMINED FROM INTER-ATOMIC POTENTIALS FOR SOME MISCIBLE/IMMISCIBLE BINARY ME
THE EFFECTS OF LAYER THICKNESS ON THE MICROSTRUCTRE AND MAGNETIC PROPERTIES OF EVAPORATED Co/Ag FILM
会议论文
ION BEAM MANIPULATION OF HIGHLY ENERGETIC SOLID-STATE MICROSTRUCTURES IN NAO-SIZED METAL-METAL MULTI
GLASS-FORMING ABILITY DETERMINED FROM INTER-ATOMIC POTENTIAL FOR SOME MISCIBLE AND IMMISCIBLE BINARY
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