The effect of minor alloying on several bulk metallic glasses and high-entropy al-loys was studied. It was found that minor Nb addition can optimize the interface structure between the W fiber and the Zr-based bulk me...The effect of minor alloying on several bulk metallic glasses and high-entropy al-loys was studied. It was found that minor Nb addition can optimize the interface structure between the W fiber and the Zr-based bulk metallic glass in the compos-ites,and improve the mechanical properties. Minor Y addition can destabilize the crystalline phases by inducing lattice distortion as a result to improve the glass-forming ability,and the lattice distortion energy is closely related to the effi-ciency of space filling of the competing crystalline phases. A long-period ordered structure can precipitate in the Mg-based bulk metallic glass by yttrium alloying. For the high-entropy alloys,solid solution can be formed by alloying,and its me-chanical properties can be comparable to most of the bulk metallic glasses.展开更多
Bulk metallic glass (BMG) composites with the austenite B2 phase as reinforcement macroscopically showed strain hardening behavior due to the plasticity induced by martensitic transformation during deformation. Relati...Bulk metallic glass (BMG) composites with the austenite B2 phase as reinforcement macroscopically showed strain hardening behavior due to the plasticity induced by martensitic transformation during deformation. Relationship between characteristics of the B2-CuZr reinforcing phase and uniaxial compressive properties of CuZr-based BMG composites was studied. Mechanical properties of these BMG composites were found to depend on not only the reinforced phases but also the amorphous matrix,and the yield and fracture strength can be roughly estimated by the rule of mixture principle. Distribution of the reinforced B2-CuZr phase has an important impact on the compressive plasticity even for the composites with a similar volume fraction of the crystalline phase.展开更多
The atomic structures of Zr-Ni and Zr-Ti-Al-Cu-Ni metallic glasses were investigated by using classical molecular dynamic (MD),reverse Monte Carlo (RMC),ab initio MD (AIMD) simulations and high resolution transmission...The atomic structures of Zr-Ni and Zr-Ti-Al-Cu-Ni metallic glasses were investigated by using classical molecular dynamic (MD),reverse Monte Carlo (RMC),ab initio MD (AIMD) simulations and high resolution transmission electron microscopy (HRTEM) techniques. We focused on the short-range order (SRO) and medium-range order (MRO) in the glassy structure. It is shown that there are icosahedral,FCC-and BCC-type SROs in the Zr-based metallic glasses. A structural model,characterized by imperfect ordered packing (IOP),was proposed based on the MD simulation and confirmed by the HRTEM observation. Furthermore,the evolution from IOP to nanocrystal during the crystallization of metallic glasses was also ex-plored. It is found that the growth from IOP to nanocrystal proceeds through three distinct stages: the formation of quasi-ordered structure with one-dimensional (1D) periodicity,then 2D periodicity,and finally the formation of 3D nanocrystals. It is also noted that these three growth steps are crosslinked.展开更多
In this work,we develop a new many-body potential for alpha-hafnium(α-Hf)based on the second moment approximation of tight-binding(TB-SMA)theory by introducing an additional Heaviside step function into the potential...In this work,we develop a new many-body potential for alpha-hafnium(α-Hf)based on the second moment approximation of tight-binding(TB-SMA)theory by introducing an additional Heaviside step function into the potential model and a new analytical scheme of density function.All the parameters of the new potential have been systematically evaluated by fitting to ground-state properties including cohesive energy,lattice constants,elastic constants,vacancy formation energy,structure stability and equation of state.By using the present model,the melting point,melt heat,thermal expansion coefficient,point defects,and low-index surface energies ofα-Hf were calculated through molecular dynamics simulations.Comparing with experiment observations from others,it is shown that these properties can be reproduced reasonably by the present model,some results being more consistent to the experimental data than those by previous suggested models.This indicates that this work is sutiable in TB-SMA potential for hexagonal close packed metals.展开更多
Bulk metallic glasses(BMGs)represent a class of solid materials which have randomly packed atomic structure in long range but exhibit unique properties.Nowadays,the macroscopic brittleness at ambient temperature is th...Bulk metallic glasses(BMGs)represent a class of solid materials which have randomly packed atomic structure in long range but exhibit unique properties.Nowadays,the macroscopic brittleness at ambient temperature is the fundamental and intriguing issue to impede the engineering application of BMGs.In this article,we report a breakthrough in solving the strength-ductility tradeoff dilemma of BMGs by introducing strong forced vibration of atoms named ultrasonic vibration(USV)technique.We find that not only the ambient temperature compressive plasticity is remarkably increased but also yield strength is augmented by kHZ level USV treatment.The toughening of BMGs has also been evidenced by the pronounced increase in the first pop-in event,which represents by the critical stress to stimulate the initial yield with the formation of shear band.It has also been confirmed that the free volume in USV treated BMGs is strikingly increased.Therefore,the intrinsic mechanism of USV induced toughening can be interpreted in the frame of structural heterogeneities and energy landscape theory,i.e.,the USV induced structural rejuvenation by increasing the loosely packed soft regions and decreasing the closely packed hard regions.The basins that possess larger potential energies are overwhelmingly increased after USV treatment.Our findings provide a new approach for surmounting strength-ductility trade-off dilemma of single atom glassy matter such as BMGs.展开更多
文摘The effect of minor alloying on several bulk metallic glasses and high-entropy al-loys was studied. It was found that minor Nb addition can optimize the interface structure between the W fiber and the Zr-based bulk metallic glass in the compos-ites,and improve the mechanical properties. Minor Y addition can destabilize the crystalline phases by inducing lattice distortion as a result to improve the glass-forming ability,and the lattice distortion energy is closely related to the effi-ciency of space filling of the competing crystalline phases. A long-period ordered structure can precipitate in the Mg-based bulk metallic glass by yttrium alloying. For the high-entropy alloys,solid solution can be formed by alloying,and its me-chanical properties can be comparable to most of the bulk metallic glasses.
基金supported in part by the National Natural Science Foundation of China (50725104, 51010001 and 51001009)China Postdoctoral Science Foundation (20100470208) the Fundamental Research Funds for the Central Universities (FRF-BR-10-036B)
文摘Bulk metallic glass (BMG) composites with the austenite B2 phase as reinforcement macroscopically showed strain hardening behavior due to the plasticity induced by martensitic transformation during deformation. Relationship between characteristics of the B2-CuZr reinforcing phase and uniaxial compressive properties of CuZr-based BMG composites was studied. Mechanical properties of these BMG composites were found to depend on not only the reinforced phases but also the amorphous matrix,and the yield and fracture strength can be roughly estimated by the rule of mixture principle. Distribution of the reinforced B2-CuZr phase has an important impact on the compressive plasticity even for the composites with a similar volume fraction of the crystalline phase.
基金the National Natural Science Foundation of China (Grant Nos. 50431030 and 50471097)the National Basic Research Program of China (Grant No. 2007CB613901)the Programme of Introducing Talents of Discipline to Universities (Grant No. B07003)
文摘The atomic structures of Zr-Ni and Zr-Ti-Al-Cu-Ni metallic glasses were investigated by using classical molecular dynamic (MD),reverse Monte Carlo (RMC),ab initio MD (AIMD) simulations and high resolution transmission electron microscopy (HRTEM) techniques. We focused on the short-range order (SRO) and medium-range order (MRO) in the glassy structure. It is shown that there are icosahedral,FCC-and BCC-type SROs in the Zr-based metallic glasses. A structural model,characterized by imperfect ordered packing (IOP),was proposed based on the MD simulation and confirmed by the HRTEM observation. Furthermore,the evolution from IOP to nanocrystal during the crystallization of metallic glasses was also ex-plored. It is found that the growth from IOP to nanocrystal proceeds through three distinct stages: the formation of quasi-ordered structure with one-dimensional (1D) periodicity,then 2D periodicity,and finally the formation of 3D nanocrystals. It is also noted that these three growth steps are crosslinked.
基金supported by the National Natural Science Foundation of China(Grant Nos.51071018 and 51271018)
文摘In this work,we develop a new many-body potential for alpha-hafnium(α-Hf)based on the second moment approximation of tight-binding(TB-SMA)theory by introducing an additional Heaviside step function into the potential model and a new analytical scheme of density function.All the parameters of the new potential have been systematically evaluated by fitting to ground-state properties including cohesive energy,lattice constants,elastic constants,vacancy formation energy,structure stability and equation of state.By using the present model,the melting point,melt heat,thermal expansion coefficient,point defects,and low-index surface energies ofα-Hf were calculated through molecular dynamics simulations.Comparing with experiment observations from others,it is shown that these properties can be reproduced reasonably by the present model,some results being more consistent to the experimental data than those by previous suggested models.This indicates that this work is sutiable in TB-SMA potential for hexagonal close packed metals.
基金This work was supported by the National Natural Science Foundation of China(Grant Nos.51922089,51972275,51871185,51727803&51872241)the Key Research Plan in Shanxi Province(Grant No.2018GY-104).
文摘Bulk metallic glasses(BMGs)represent a class of solid materials which have randomly packed atomic structure in long range but exhibit unique properties.Nowadays,the macroscopic brittleness at ambient temperature is the fundamental and intriguing issue to impede the engineering application of BMGs.In this article,we report a breakthrough in solving the strength-ductility tradeoff dilemma of BMGs by introducing strong forced vibration of atoms named ultrasonic vibration(USV)technique.We find that not only the ambient temperature compressive plasticity is remarkably increased but also yield strength is augmented by kHZ level USV treatment.The toughening of BMGs has also been evidenced by the pronounced increase in the first pop-in event,which represents by the critical stress to stimulate the initial yield with the formation of shear band.It has also been confirmed that the free volume in USV treated BMGs is strikingly increased.Therefore,the intrinsic mechanism of USV induced toughening can be interpreted in the frame of structural heterogeneities and energy landscape theory,i.e.,the USV induced structural rejuvenation by increasing the loosely packed soft regions and decreasing the closely packed hard regions.The basins that possess larger potential energies are overwhelmingly increased after USV treatment.Our findings provide a new approach for surmounting strength-ductility trade-off dilemma of single atom glassy matter such as BMGs.