The incremental constitutive relation and governing equations with combined stresses for phase transition wave propagation in a thin-walled tube are established based on the phase transition criterion considering both...The incremental constitutive relation and governing equations with combined stresses for phase transition wave propagation in a thin-walled tube are established based on the phase transition criterion considering both the hydrostatic pressure and the deviatoric stress. It is found that the centers of the initial and subsequent phase transition ellipses are shifted along the sigma-axis in the sigma tau-plane due to the tension-compression asymmetry induced by the hydrostatic pressure. The wave solution offers the 'fast' and 'slow' phase transition waves under combined longitudinal and torsional stresses in the phase transition region. The results show some new stress paths and wave structures in a thin-walled tube with phase transition, differing from those of conventional elastic-plastic materials.展开更多
The structural features and three-dimensional nature of the charge density wave （CDW） state of the layered chalcogenide 1T-TaSe2-xTex （0≤x≤2.0） are characterized by Cs-corrected transmission electron microscopy ...The structural features and three-dimensional nature of the charge density wave （CDW） state of the layered chalcogenide 1T-TaSe2-xTex （0≤x≤2.0） are characterized by Cs-corrected transmission electron microscopy measurements. Notable changes of both average structure and the CDW state arising from Te substitution for Se are clearly demonstrated in samples with x〉0.3. The commensurate CDW state characterized by the known star-of-David clustering in the 1T-TaSe2 crystal becomes visibly unstable with Te substitution and vanishes when x=0.3. The 1T-TaSe2-xTex （0.3≤x≤1.3） samples generally adopt a remarkable incommensurate CDW state with monoclinic distortion, which could be fundamentally in correlation with the strong qq-dependent electron-phonon coupling-induced period-lattice-distortion as identified in TaTe22. Systematic analysis demonstrates that the occurrence of superconductivity is related to the suppression of the commensurate CDW phase and the presence of discommensuration is an evident structural feature observed in the superconducting samples.展开更多
Melting simulation methods are of crucial importance to determining melting temperature of materials efficiently.A high-efficiency melting simulation method saves much simulation time and computational resources.To co...Melting simulation methods are of crucial importance to determining melting temperature of materials efficiently.A high-efficiency melting simulation method saves much simulation time and computational resources.To compare the efficiency of our newly developed shock melting(SM)method with that of the well-established two-phase(TP)method,we calculate the high-pressure melting curve of Au using the two methods based on the optimally selected interatomic potentials.Although we only use 640 atoms to determine the melting temperature of Au in the SM method,the resulting melting curve accords very well with the results from the TP method using much more atoms.Thus,this shows that a much smaller system size in SM method can still achieve a fully converged melting curve compared with the TP method,implying the robustness and efficiency of the SM method.展开更多
基金Project supported by the National Natural Science Foundation of China(No.11072240)
文摘The incremental constitutive relation and governing equations with combined stresses for phase transition wave propagation in a thin-walled tube are established based on the phase transition criterion considering both the hydrostatic pressure and the deviatoric stress. It is found that the centers of the initial and subsequent phase transition ellipses are shifted along the sigma-axis in the sigma tau-plane due to the tension-compression asymmetry induced by the hydrostatic pressure. The wave solution offers the 'fast' and 'slow' phase transition waves under combined longitudinal and torsional stresses in the phase transition region. The results show some new stress paths and wave structures in a thin-walled tube with phase transition, differing from those of conventional elastic-plastic materials.
基金Supported by the National Basic Research Program of China under Grant Nos 2015CB921300 and 2012CB821404the National Key Research and Development Program of China under Grant Nos 2016YFA0300300 and 2016YFA0300404+1 种基金the National Natural Science Foundation of China under Grant Nos 11474323,11604372,11274368,91221102,11190022,11674326 and 91422303the Strategic Priority Research Program(B)of the Chinese Academy of Sciences under Grant No XDB07020000
文摘The structural features and three-dimensional nature of the charge density wave （CDW） state of the layered chalcogenide 1T-TaSe2-xTex （0≤x≤2.0） are characterized by Cs-corrected transmission electron microscopy measurements. Notable changes of both average structure and the CDW state arising from Te substitution for Se are clearly demonstrated in samples with x〉0.3. The commensurate CDW state characterized by the known star-of-David clustering in the 1T-TaSe2 crystal becomes visibly unstable with Te substitution and vanishes when x=0.3. The 1T-TaSe2-xTex （0.3≤x≤1.3） samples generally adopt a remarkable incommensurate CDW state with monoclinic distortion, which could be fundamentally in correlation with the strong qq-dependent electron-phonon coupling-induced period-lattice-distortion as identified in TaTe22. Systematic analysis demonstrates that the occurrence of superconductivity is related to the suppression of the commensurate CDW phase and the presence of discommensuration is an evident structural feature observed in the superconducting samples.
基金Supported by the National Natural Science Foundation of China under Grant No.41574076the NSAF of China under Grant No.U1230201/A06the Young Core Teacher Scheme of Henan Province under Grant No.2014GGJS-108
文摘Melting simulation methods are of crucial importance to determining melting temperature of materials efficiently.A high-efficiency melting simulation method saves much simulation time and computational resources.To compare the efficiency of our newly developed shock melting(SM)method with that of the well-established two-phase(TP)method,we calculate the high-pressure melting curve of Au using the two methods based on the optimally selected interatomic potentials.Although we only use 640 atoms to determine the melting temperature of Au in the SM method,the resulting melting curve accords very well with the results from the TP method using much more atoms.Thus,this shows that a much smaller system size in SM method can still achieve a fully converged melting curve compared with the TP method,implying the robustness and efficiency of the SM method.
