In this paper, a new physically based constitutive model is developed for hexagonal close-packed metals, especially the Ti-6Al-4V alloy, subjected to high strain rate and different temperatures based on the microscopi...In this paper, a new physically based constitutive model is developed for hexagonal close-packed metals, especially the Ti-6Al-4V alloy, subjected to high strain rate and different temperatures based on the microscopic mechanism of plastic deformation and the theory of thermally activated dislocation motion. A global analysis of constitutive parameters based on the Latin Hypercube Sampling method and the Spearman＇s rank correlation method is adopted in order to improve the identification efficiency of parameters. Then, an optimal solution of constitutive parameters as a whole is obtained by using a global genetic algorithm composed of an improved niche genetic algorithm, a global peak determination strategy and the local accurate search techniques. It is concluded that the proposed constitutive modal can accurately describe the Ti-6Al-4V alloy＇s dynamic behavior because the prediction results of the model are in good agreement with the experimental data.展开更多
A computationally efficient two-surface plasticity model is assessed against crystal plasticity. Focus is laid on the mechanical behavior of magnesium alloys in the presence of ductility-limiting defects, such as void...A computationally efficient two-surface plasticity model is assessed against crystal plasticity. Focus is laid on the mechanical behavior of magnesium alloys in the presence of ductility-limiting defects, such as voids. The two surfaces separately account for slip and twinning such that the constitutive formulation captures the evolving plastic anisotropy and evolving tension-compression asymmetry. For model identification, a procedure is proposed whereby the initial guess is based on a combination of experimental data and computationally intensive polycrystal calculations from the literature. In drawing direct comparisons with crystal plasticity, of which the proposed model constitutes a heuristically derived reduced-order model, the available crystal plasticity simulations are grouped in two datasets. A calibration set contains minimal data for both pristine and porous material subjected to one loading path. Then the two-surface model is assessed against a broader set of crystal plasticity simulations for voided unit cells under various stress states and two loading orientations. The assessment also includes microstructure evolution(rate of growth of porosity and void distortion). The ability of the two-surface model to capture essential features of crystal plasticity is analyzed along with an evaluation of computational cost. The prospects of using the model in guiding the development of physically sound damage models in Mg alloys are put forth in the context of high-throughput simulations.展开更多
Metallic hydrogen could be not only high-efficiency fuel for nuclear fusion and high explosive but also a high-temperature superconductor. The study of metallic hydrogen is of great help to solving some important prob...Metallic hydrogen could be not only high-efficiency fuel for nuclear fusion and high explosive but also a high-temperature superconductor. The study of metallic hydrogen is of great help to solving some important problems in the field of geophysics and astrophysics, such as the electronic and magnetic properties of the giant planets (Jupiter and Saturn) and their evolution, processes. So the study of metallic hydrogen is of momentous significance both theoretically and practically. In 1935 Wigner and Huntington pro-展开更多
High-pressure Raman scattering from hexagonal close-packed(HCP) metals Os and Re have been extended up to 200 GPa, and the pressure-dependent shear modulus C_(44)has been deduced from the Raman-active mode E_(28), whi...High-pressure Raman scattering from hexagonal close-packed(HCP) metals Os and Re have been extended up to 200 GPa, and the pressure-dependent shear modulus C_(44)has been deduced from the Raman-active mode E_(28), which is generated from the adjacent vibration of atoms in hexagonal planes, providing the valuable information about the elastic properties for HCP metals under high pressure. Combined with the available data of HCP metals from previous works,a further study indicates that the C_(44)/C_(44)ratio would be close to a constant value, 0.01, with increasing atomic number of metals. The results obtained from high-pressure Raman scattering will allow us to probe the elastic anisotropy of the HCP metals at very high pressure.展开更多
The interaction between small vacancy clusters and twin boundaries in copper is studied by using many-body potential developed by Ackland et aL for fcc metals. The interaction energies of single-, di- and tri-vacancy ...The interaction between small vacancy clusters and twin boundaries in copper is studied by using many-body potential developed by Ackland et aL for fcc metals. The interaction energies of single-, di- and tri-vacancy clusters with （111） and （112） twin boundaries are computed using well established simulation techniques. For （111） twins the vacancy clusters are highly repelled when they are on the adjacent planes, and are attracted when they are away from the boundary. In the case of （112） twins, vacancy clusters are more attracted to the boundary when they are near the boundary as compared to away from it. Vacancy clusters on both the sides of the boundary are also investigated, and it is observed that the clusters energetically prefer to lie on the off-mirror sites as compared to the mirror position across the twin.展开更多
The addition of hexagonal-close-packed(hcp)non-rare-earth elements Zr,Ti and Co,to the 10-component hep rare-earth-based high-entropy alloys(HEAs)with a composition of ScYLaNdGdTbDyHoErLuX(X=Zr,Co and Ti)was investiga...The addition of hexagonal-close-packed(hcp)non-rare-earth elements Zr,Ti and Co,to the 10-component hep rare-earth-based high-entropy alloys(HEAs)with a composition of ScYLaNdGdTbDyHoErLuX(X=Zr,Co and Ti)was investigated.The enthalpy of mixing between elements was found to have a significant effect on the formation of phases.The addition of Co combines with elements that had a strong chemical affinity to form intermetallic compounds by the effect of enthalpy.Ti was added with all elements with poor chemical affinity and exhibited rejection to form a phase alone.These were the two terminal manifestations of the role of enthalpy over entropy.Part of Zr was soluble in the matrix under the action of entropy,while the other part had a greater affinity for Sc than the other elements to form a precipitate under the action of enthalpy.This was the result of the local balance between the effect of enthalpy and entropy.The solid solution of the elements had different degrees of strengthening effect,among which Zr had the most excellent strengthening effect from 185 to 355 MPa,so the solid solution strengthening model and precipitation strengthening model were proposed to predict the strength of the alloy with the addition of Zr effectively.展开更多
A hybrid first-principles/Monte Carlo simulation is combined with experiments to study the structure and elastic properties of CoCrNi_x(x=1-0.5)alloys.The experimental X-ray diffraction patterns show that the structur...A hybrid first-principles/Monte Carlo simulation is combined with experiments to study the structure and elastic properties of CoCrNi_x(x=1-0.5)alloys.The experimental X-ray diffraction patterns show that the structures have changed from the single-phase face-centered cubic(FCC)structure at x=1-0.8 to the coexistence of FCC and the hexagonal close-packed structures at x=0.7-0.5,which is further confirmed by calculations on mixing energies.The elastic moduli by calculation are basically in agreement with experiments.Room-temperature tension shows that the six alloys have a certain plasticity,the strength and plasticity of the alloys have a linear decrease with the decrease in Ni contents,and the plasticity of the alloys drops from 84 to 23%.Furthermore,first-principles density function theory calculations were employed to reveal the electronic and magnetic structures of alloys.The electron density of states for all alloys is asymmetrical,which illustrates that the alloys are ferromagnetism.It is found that Cr atoms can suppress the ferromagnetism of alloys,since Cr atoms have both positive and negative magnetic moments in all alloys.展开更多
基金financially supported by the National Natural Science Foundation of China(No.51805389)the Key R&D Program of Hubei Province,China(No.2021BAA048)+1 种基金the“111”Project,China(No.B17034)the Fund of the Hubei Key Laboratory of Advanced Technology for Automotive Components,Wuhan University of Technology,China(No.XDQCKF2021011)。
基金the financial support by the National Natural Science Foundation of China Academy of Engineering Physicsthe jointly set-up"NSAF"joint fund under Contract No.U1430119
文摘In this paper, a new physically based constitutive model is developed for hexagonal close-packed metals, especially the Ti-6Al-4V alloy, subjected to high strain rate and different temperatures based on the microscopic mechanism of plastic deformation and the theory of thermally activated dislocation motion. A global analysis of constitutive parameters based on the Latin Hypercube Sampling method and the Spearman＇s rank correlation method is adopted in order to improve the identification efficiency of parameters. Then, an optimal solution of constitutive parameters as a whole is obtained by using a global genetic algorithm composed of an improved niche genetic algorithm, a global peak determination strategy and the local accurate search techniques. It is concluded that the proposed constitutive modal can accurately describe the Ti-6Al-4V alloy＇s dynamic behavior because the prediction results of the model are in good agreement with the experimental data.
基金support of this work by the National Science Foundation (CMMI Award no.1932975)。
文摘A computationally efficient two-surface plasticity model is assessed against crystal plasticity. Focus is laid on the mechanical behavior of magnesium alloys in the presence of ductility-limiting defects, such as voids. The two surfaces separately account for slip and twinning such that the constitutive formulation captures the evolving plastic anisotropy and evolving tension-compression asymmetry. For model identification, a procedure is proposed whereby the initial guess is based on a combination of experimental data and computationally intensive polycrystal calculations from the literature. In drawing direct comparisons with crystal plasticity, of which the proposed model constitutes a heuristically derived reduced-order model, the available crystal plasticity simulations are grouped in two datasets. A calibration set contains minimal data for both pristine and porous material subjected to one loading path. Then the two-surface model is assessed against a broader set of crystal plasticity simulations for voided unit cells under various stress states and two loading orientations. The assessment also includes microstructure evolution(rate of growth of porosity and void distortion). The ability of the two-surface model to capture essential features of crystal plasticity is analyzed along with an evaluation of computational cost. The prospects of using the model in guiding the development of physically sound damage models in Mg alloys are put forth in the context of high-throughput simulations.
文摘Metallic hydrogen could be not only high-efficiency fuel for nuclear fusion and high explosive but also a high-temperature superconductor. The study of metallic hydrogen is of great help to solving some important problems in the field of geophysics and astrophysics, such as the electronic and magnetic properties of the giant planets (Jupiter and Saturn) and their evolution, processes. So the study of metallic hydrogen is of momentous significance both theoretically and practically. In 1935 Wigner and Huntington pro-
基金financially supported by the National Natural Science Foundation of China (Grant Nos. 11774247 and U2030107)Sichuan University Innovation Research Program of China (Grant No. 2020SCUNL107)。
文摘High-pressure Raman scattering from hexagonal close-packed(HCP) metals Os and Re have been extended up to 200 GPa, and the pressure-dependent shear modulus C_(44)has been deduced from the Raman-active mode E_(28), which is generated from the adjacent vibration of atoms in hexagonal planes, providing the valuable information about the elastic properties for HCP metals under high pressure. Combined with the available data of HCP metals from previous works,a further study indicates that the C_(44)/C_(44)ratio would be close to a constant value, 0.01, with increasing atomic number of metals. The results obtained from high-pressure Raman scattering will allow us to probe the elastic anisotropy of the HCP metals at very high pressure.
文摘The interaction between small vacancy clusters and twin boundaries in copper is studied by using many-body potential developed by Ackland et aL for fcc metals. The interaction energies of single-, di- and tri-vacancy clusters with （111） and （112） twin boundaries are computed using well established simulation techniques. For （111） twins the vacancy clusters are highly repelled when they are on the adjacent planes, and are attracted when they are away from the boundary. In the case of （112） twins, vacancy clusters are more attracted to the boundary when they are near the boundary as compared to away from it. Vacancy clusters on both the sides of the boundary are also investigated, and it is observed that the clusters energetically prefer to lie on the off-mirror sites as compared to the mirror position across the twin.
基金financially supported by the Natural Science Foundation of Shanxi Province,China (Nos. 201901D111105 and 201901D111114)the Key Research and Development Program of Shanxi Province (No.202102050201008)+1 种基金the National Science Foundation,United States (Nos.DMR-1611180 and 1809640)the U.S.Army Research Office (Nos.W911NF-131-0438 and W911NF-19-2-0049)
文摘The addition of hexagonal-close-packed(hcp)non-rare-earth elements Zr,Ti and Co,to the 10-component hep rare-earth-based high-entropy alloys(HEAs)with a composition of ScYLaNdGdTbDyHoErLuX(X=Zr,Co and Ti)was investigated.The enthalpy of mixing between elements was found to have a significant effect on the formation of phases.The addition of Co combines with elements that had a strong chemical affinity to form intermetallic compounds by the effect of enthalpy.Ti was added with all elements with poor chemical affinity and exhibited rejection to form a phase alone.These were the two terminal manifestations of the role of enthalpy over entropy.Part of Zr was soluble in the matrix under the action of entropy,while the other part had a greater affinity for Sc than the other elements to form a precipitate under the action of enthalpy.This was the result of the local balance between the effect of enthalpy and entropy.The solid solution of the elements had different degrees of strengthening effect,among which Zr had the most excellent strengthening effect from 185 to 355 MPa,so the solid solution strengthening model and precipitation strengthening model were proposed to predict the strength of the alloy with the addition of Zr effectively.
基金the National Key Laboratory for Remanufacturing(No.61420050204)Transformation of Scientific and Technological Achievements Programs of Higher Education Institutions in Shanxi(2019)+1 种基金opening project of the State Key Laboratory of Explosion Science and Technology(Beijing Institute of Technology,No.KFJJ20-13 M)Hua Tian would like to acknowledge the National Natural Science Foundation of China(No.51901152)。
文摘A hybrid first-principles/Monte Carlo simulation is combined with experiments to study the structure and elastic properties of CoCrNi_x(x=1-0.5)alloys.The experimental X-ray diffraction patterns show that the structures have changed from the single-phase face-centered cubic(FCC)structure at x=1-0.8 to the coexistence of FCC and the hexagonal close-packed structures at x=0.7-0.5,which is further confirmed by calculations on mixing energies.The elastic moduli by calculation are basically in agreement with experiments.Room-temperature tension shows that the six alloys have a certain plasticity,the strength and plasticity of the alloys have a linear decrease with the decrease in Ni contents,and the plasticity of the alloys drops from 84 to 23%.Furthermore,first-principles density function theory calculations were employed to reveal the electronic and magnetic structures of alloys.The electron density of states for all alloys is asymmetrical,which illustrates that the alloys are ferromagnetism.It is found that Cr atoms can suppress the ferromagnetism of alloys,since Cr atoms have both positive and negative magnetic moments in all alloys.
