中高熵合金的动态力学行为研究进展

中高熵合金是近二十年提出的一种多主元金属合金，打破了传统合金以1-2种金属元素为主元的设计理念.中高熵合金由于多主元的成份设计提高了材料的构型熵和混合熵，展现出许多奇特的组织结构和性能.相比铝合金、钛合金以及钢铁等传统金属，中高熵合金表现出优异的准静态力学性能和动态力学性能等.在高应变速率下，材料的塑性变形受到更多因素的影响，如应变率、温度等.本文首先介绍中高熵合金动态力学性能(包括动态剪切、夏比冲击，动态层裂强度，侵彻自锐性等)的相关研究，并总结了中高熵合金动态变形的微结构变形机理；随后综合概括了中高熵合金中绝热剪切带行为和温度效应的研究现状；最后对中高熵合金在冲击动力学领域的应用和研究趋势提出展望.     

高熵合金药型罩射流成型与稳定性

近年迅速兴起的多主元高熵合金因其具有很宽的成分-性能调控范围及一系列优异力学性能, 有望替代紫铜成为新一代药型罩材料. 本文基于CrMnFeCoNi五元高熵合金动态力学性能实验和数值模拟, 探索该合金用作药型罩的适用性. 基于分离式霍普金森拉杆和材料试验机研究了高熵合金不同应变率及温度下的力学行为, 获得了高熵合金Johnson-Cook热黏塑性动态本构. 利用流动速度与临界压垮角关系对凝聚性高熵合金射流形成边界进行界定. 结合数值模拟验证了高熵合金射流形成边界的合理性, 并进一步揭示了射流高速拉伸断裂演化规律. 研究表明: 射流断裂时间与材料强度成负相关, 材料动态强度增大, 将会引起射流断裂时间下降. 本工作可为新型高熵合金药型罩结构设计提供参考.      

高熵合金的力学性能及变形行为研究进展

高熵合金是近年来提出的一种新的合金设计理念,打破了一般合金中以1种或2种元素为主,辅以极少量其他元素来改善合金性能的传统思想,由多种元素以等原子或近似等原子比混合后形成具有独特原子结构特征的单一固溶体合金.高熵合金的多主元特性使其在变形过程中表现出多重机制(包括位错机制、形变孪生、相变等)的协同,因而高熵合金已经展示了优异的力学性能,如高强、高硬、高塑性、抗高温软化、抗辐照、耐磨等,被认为是最具有应用潜力的新型高性能金属结构材料,已经成为国际固体力学和材料科学领域研究的热点.本文首先介绍了高熵合金独特的结构特征, 即具有短程有序结构和严重的晶格畸变;随后对近年来针对不同类型高熵合金(包括具有面心立方相、体心立方相、密排六方相、多相以及亚稳态高熵合金)力学性能、变形行为方面的研究成果,特别是强韧化机制以及相关的原子尺度模拟, 进行了较为系统的综述;最后强调了高熵合金未来研究中所面临的一些主要问题和挑战,并对其研究进行了展望.      

高熵合金的力学性能及变形行为研究进展

高熵合金是近年来提出的一种新的合金设计理念,打破了一般合金中以1种或2种元素为主,辅以极少量其他元素来改善合金性能的传统思想,由多种元素以等原子或近似等原子比混合后形成具有独特原子结构特征的单一固溶体合金.高熵合金的多主元特性使其在变形过程中表现出多重机制(包括位错机制、形变孪生、相变等)的协同,因而高熵合金已经展示了优异的力学性能,如高强、高硬、高塑性、抗高温软化、抗辐照、耐磨等,被认为是最具有应用潜力的新型高性能金属结构材料,已经成为国际固体力学和材料科学领域研究的热点.本文首先介绍了高熵合金独特的结构特征,即具有短程有序结构和严重的晶格畸变;随后对近年来针对不同类型高熵合金(包括具有面心立方相、体心立方相、密排六方相、多相以及亚稳态高熵合金)力学性能、变形行为方面的研究成果,特别是强韧化机制以及相关的原子尺度模拟,进行了较为系统的综述;最后强调了高熵合金未来研究中所面临的一些主要问题和挑战,并对其研究进行了展望.     

高熵合金冲击变形行为研究进展

高熵合金作为一种多主元合金,突破了传统合金单主元的设计思想,体现出不同于传统合金的优异性能,特别在高温、高压、高应变率等极端环境中有着良好的应用前景。从微观、细观与宏观尺度分析高熵合金的冲击变形特性对于其工程应用具有重要的指导作用,主要涉及元素效应、细观结构以及高温高应变率条件对高熵合金冲击损伤演化、微观结构变化和冲击变形演化过程的影响机制。元素效应主要讨论了原子半径差异较大的金属与非金属元素对高熵合金冲击变形行为的影响;根据细观结构不同,将高熵合金分为单相与多相结构,单相高熵合金为塑性较好的面心立方（face centered cubic,FCC）结构、强度较高的体心立方（body centered cubic,BCC）与密排六方（hexagonal close-packed,HCP）结构。多相高熵合金的细观结构为这三种单相结构或者与其他相的组合,多相高熵合金的协同变形能够使其获得更为优异的综合力学性能。高温与高应变率作为外部条件对高熵合金的影响与其他金属相似,高温促进材料软化而高应变率促进材料硬化,部分高熵合金在高温下具有更优异的抗变形能力。针对高熵合金的冲击特性,总结了目前高熵合金在国防工程冲击领域的应用,归纳了高熵合金冲击变形行为研究存在的问题,并进一步对高熵合金在极端条件下的应用进行了展望。     

高熵合金辐照硬化与力学性能研究

高熵合金由于多主元元素混合引起高熵结构效应,使其具有优异的物理、力学和化学特性,如高强度、高耐磨性、耐蚀性、热稳定性、优异的抗辐照性能等。然而,辐照诱发高熵合金材料的硬化行为和力学性能预测仍缺少相关研究,严重地限制了对其长期服役后材料性能的评估。基于晶体塑性理论结合实验结果,研究了空洞形状依赖的硬化行为、位错环诱发的硬化行为以及氧化物弥散增强的高熵合金力学性能。研究发现,考虑多面体空洞与位错的概率依赖的空间交互作用,能够更加准确地预测辐照金属的屈服应力;晶格畸变对屈服强度,有着重要的贡献;氧化物弥散相对位错运动起强烈钉扎的作用,从而对强度产生影响,直接决定抗辐照性能。高熵合金作为一种具有综合优异力学性能的新型结构材料,在先进核能系统中有望被广泛应用,比如核反应堆的核燃料包壳管。     

高熵合金辐照硬化与力学性能研究

高熵合金由于多主元元素混合引起高熵结构效应,使其具有优异的物理、力学和化学特性,如高强度、高耐磨性、耐蚀性、热稳定性、优异的抗辐照性能等。然而,辐照诱发高熵合金材料的硬化行为和力学性能预测仍缺少相关研究,严重地限制了对其长期服役后材料性能的评估。基于晶体塑性理论结合实验结果,研究了空洞形状依赖的硬化行为、位错环诱发的硬化行为以及氧化物弥散增强的高熵合金力学性能。研究发现,考虑多面体空洞与位错的概率依赖的空间交互作用,能够更加准确地预测辐照金属的屈服应力;晶格畸变对屈服强度,有着重要的贡献;氧化物弥散相对位错运动起强烈钉扎的作用,从而对强度产生影响,直接决定抗辐照性能。高熵合金作为一种具有综合优异力学性能的新型结构材料,在先进核能系统中有望被广泛应用,比如核反应堆的核燃料包壳管。     

CrMnFeCoNi高熵合金纳米晶温度相关的拉伸行为研究

高熵合金是一种由多种主元元素组成的新型合金.实验研究表明等原子比CrMnFeCoNi高熵合金在低温下具有比室温更高的拉伸强度和断裂韧性.论文针对这一现象,利用分子动力学模拟对平均晶粒尺寸为6.18 nm的CrMnFeCoNi纳米晶在300、200和77 K下分别进行拉伸模拟.模拟研究揭示了纳米尺度CrMnFeCoNi高熵合金力学行为的温度效应和强韧机理.微结构演化分析表明:随着温度的降低,塑性变形阶段滑移系开动的越少,位错滑移所受的阻力越大,屈服强度和抗拉强度越大;温度越低,模型破坏时,孔洞缺陷形核较慢,更多孔洞缺陷演化成断口,更多的孔洞和断口分摊拉伸应变,使得高熵合金纳米晶的低温韧性更好.     

非线性能量汇胞元减振效率分析

非线性能量汇(nonlinear energy sink, NES)具有减振频带宽、减振效果好等诸多优点.但是NES没有线性刚度的特征导致其难以驱动大重量的NES振子,从而难以应用于对大型工程结构的减振.因此,将NES以高效和便捷的方式应用于工程减振,仍然是有待研究的问题.将NES以胞元的形式装配于振动的主结构中,通过多个NES胞元的共同作用,是一种有前景的减振策略.文章在偏心转子激励下,探究了多个NES胞元对远大于单个NES自身重量的振动结构的减振效果,分析了多个NES胞元耦合主结构组成的系统的整体响应特征.建立了NES胞元减振系统的运动微分方程,采用复化平均法(complexification-averaging,CxA)导出系统的慢不变流形及稳态响应满足的近似解析表达式,通过慢变流形的扰动运动微分方程对稳态解进行稳定性分析,再利用伪弧长法获得系统响应的近似解,分析了NES胞元的减振规律及系统响应规律,最后利用龙格-库塔(Runge-Kutta, R-K)法进行数值验证.结果表明,通过多个NES胞元共同作用,能够有效控制较大重量的主系统振动,而且减振效率随NES胞元个数和重量的增加...     

Bi-Pb-Sn-Cd四元合金纳米微粒的制备及其摩擦磨损性能研究

通过直接对Bi-Pb-Sn-Cd四元块状合金进行超声分散制备了相应的四元合金纳米微粒;采用X射线衍射仪和热分析仪分析所制备的纳米微粒结构;采用透射电子显微镜考察了纳米颗粒的形貌及尺寸分布;采用四球摩擦磨损试验机考察了纳米颗粒的摩擦学性能.结果表明,所制备的纳米颗粒为低熔点共晶合金纳米微粒,颗粒平均尺寸在10～20 nm之间,其作为润滑油添加剂表现出良好的摩擦学性能.     

Cluster variation method for determining the energy of slip-induced anti-phase boundary in BCC alloys

The cluster variation method formalism in the irregular tetrahedron approximation has been applied to the determination of the anti-phase boundary (APB) energies of anti-phases generated by the slip of multiple dislocations on a single plane in BCC alloys. The formalism has been applied to BCC Fe–Al alloys and compared with experimental results in the same system. The results shows that in the short-range ordered (SRO) state, most of the resistance to dislocation motion is felt by the first moving dislocation, which characterises slip-plane softening. For the long-range ordered (LRO) state the calculation justifies the formation of superdislocation configuration as experimentally observed in the phases at room temperature deformation. The results have been discussed in connection with the experimentally observed deformation modes of BCC Fe–Al alloys.     

Kinetic theory of low-temperature microscopic crack nucleation in crystals

Microscopic crack nucleation in a strained crystal is regarded as kinetic structural transformation associated with a change in the short-range order in atomic distribution and with excess-volume localization under deformation. The short-range order in the atomic distribution found in a strained medium is described by two order parameters. In the local approximation of nonequilibrium thermodynamics, equations describing the evolution of the order parameters are derived. Solutions for the decomposition of the homogeneous state with the formation of pores are proposed and microcracking conditions are considered.     

Stochastic simulation of dislocation glide in tantalum and Ta-based alloys

We employ a kinetic Monte Carlo algorithm to simulate the motion of -oriented screw dislocation on a -slip plane in body centered cubic Ta and Ta-based alloys. The dislocation moves by the kink model: double kink nucleation, kink migration and kink-kink annihilation. Rates of these unit processes are parameterized based upon existing first principles data. Both short-range (solute-dislocation core) and long-range (elastic misfit) interactions between the dislocation and solute are considered in the simulations. Simulations are performed to determine dislocation velocity as a function of stress, temperature, solute concentration, solute misfit and solute-core interaction strength. The dislocation velocity is shown to be controlled by the rate of nucleation of double kinks and the dependence of the double kink nucleation rate on stress and temperature are consistent with existing analytical predictions. In alloys, dislocation velocity depends on both the short- and long-range solute dislocation interactions as well as on the solute concentration. The short-range solute-core interactions are shown to dominate the effects of alloying on dislocation mobility. The present simulation method provides the critical link between atomistic calculations of fundamental dislocation and solute properties and large scale dislocation dynamics that typically employ empirical equations of motion.     

The higher order Chapman-Cowling bracket integrals for the viscosity coefficient of multicomponent gas mixtures

Summary The rigorous kinetic theory bracket integrals for the Chapman-Cowling third order approximation to the viscosity coefficient of multicomponent gas mixtures are reported. These expressions will be found useful in interpreting the highly accurate viscosity data on multicomponent gas mixtures now possible. Specially for mixtures involving molecules quite different in nature the contribution is comparable with experimental accuracy.     

A high‐resolution scheme for compressible multicomponent flows with shock waves

A simple methodology for a high‐resolution scheme to be applied to compressible multicomponent flows with shock waves is investigated. The method is intended for use with direct numerical simulation or large eddy simulation of compressible multicomponent flows. The method dynamically adds non‐linear artificial diffusivity locally in space to capture different types of discontinuities such as a shock wave, contact surface or material interface while a high‐order compact differencing scheme resolves a broad range of scales in flows. The method is successfully applied to several one‐dimensional and two‐dimensional compressible multicomponent flow problems with shock waves. The results are in good agreement with experiments and earlier computations qualitatively and quantitatively. The method captures unsteady shock and material discontinuities without significant spurious oscillations if initial start‐up errors are properly avoided. Comparisons between the present numerical scheme and high‐order weighted essentially non‐oscillatory (WENO) schemes illustrate the advantage of the present method for resolving a broad range of scales of turbulence while capturing shock waves and material interfaces. Also the present method is expected to require less computational cost than popular high‐order upwind‐biased schemes such as WENO schemes. The mass conservation for each species is satisfied due to the strong conservation form of governing equations employed in the method. Copyright © 2010 John Wiley & Sons, Ltd.     

A variable relaxation scheme for multiphase,multicomponent flow

We propose a variable relaxation scheme for the simulation of 1D, two-phase, multicomponent flow in porous media. For these strongly nonlinear systems, traditional high order upwind schemes are impractical: Riemann solutions are not directly available when the phase behavior is complex, and the systems are weakly hyperbolic at isolated points. Relaxation schemes avoid the dependency on the eigenstructure and nonlinear Riemann solvers by approximating the original system with a strongly hyperbolic linear system. We exploit the known information about the eigenvalues to construct first order and second order variable relaxation schemes with much reduced numerical diffusion as compared to the standard relaxation formulations. The proposed second order variable relaxation scheme is competitive in accuracy and efficiency with a third order component-wise ENO reconstruction, and performs at least as well as second order component-wise TVD schemes.     

Quasi-Hydrodynamic Model of Multiphase Fluid Flows Taking into Account Phase Interaction

A quasi-hydrodynamic system of equations describing flows of a heat-conducting viscous compressible multiphase multicomponent fluid is constructed taking into account surface effects. The system was obtained by generalizing the methods of obtaining a single-phase quasi-hydrodynamic system and a multicomponent flow model with surface effects based on the concept of microforces and microstresses. The equations are derived using the Coleman–Noll procedure. The results of the simulations show that the constructed model is applicable for modeling multiphase multicomponent flows with allowance for surface effects on the interfaces.     

Short-and resonant-range interactions between scales in turbulence and their applications

Interactions between different scales in turbulence were studied starting from the incompressible Navier-Stokes equations. The integral and differential formulae of the shortrange viscous stresses, which express the short-range interactions between contiguous scales in turbulence, were given. A concept of the resonant-range interactions between extreme contiguous scales was introduced and the differential formula of the resonant-range viscous stresses was obtained. The short- and resonant-range viscous stresses were applied to deduce the large-eddy simulation ( LES ) equations as well as the multiscale equations, which are approximately closed and do not contain any empirical constants or relations. The properties and advantages of using the multiscale equations to compute turbulent flows were discussed. The short-range character of the interactions between the scales in turbulence means that the multiscale simulation is a very valuable technique for the calculation of turbulent flows. A few numerical examples were also given.     

Identification of the parameters of the stress–strain problem for a multicomponent elastic body with an inclusion

Explicit expressions for residual functional gradients are derived. They are used to identify, using gradient methods, the parameters of elastic problems for multicomponent bodies. The method employs the solutions of conjugate problems in the theory (developed by the authors) of optimal control of distributed multicomponent systems