纳米多晶铜中冲击波阵面的分子动力学研究

冲击波阵面反映材料在冲击压缩下的弹塑性变形行为以及屈服强度、应变率条件等宏观量, 还与冲击压缩后的强度变化联系. 本文使用分子动力学方法, 模拟研究了冲击压缩下纳米多晶铜中的动态塑性变形过程, 考察了冲击波阵面和弹塑性机理对晶界存在的依赖, 并与纳米多晶铝的冲击压缩进行了比较. 研究发现: 相比晶界对纳米多晶铝的贡献而言, 纳米多晶铜中晶界对冲击波阵面宽度的影响较小; 并且其塑性变形机理主要以不全位错的发射和传播为主, 很少观察到全位错和形变孪晶的出现. 模拟还发现纳米多晶铜的冲击波阵面宽度随着冲击应力的增加而减小, 并得到了冲击波阵面宽度与冲击应力之间的定量反比关系, 该定量关系与他人纳米多晶铜模拟结果相近, 而与粗晶铜的冲击压缩实验结果相差较大.     

纳米铜薄膜塑性变形中空位型缺陷形核与演化的分子动力学研究

本文采用分子动力学方法模拟了纳米单晶铜薄膜在单向拉伸载荷作用下的塑性变形过程, 重点分析了空位型缺陷的形核过程和演化机理. 在模拟过程中, 采用镶嵌原子势描述原子间的相互作用. 模拟结果表明纳米铜薄膜中塑性变形起源于位错的表面形核, 而空位型缺陷的形核及演化都与晶体内部的位错运动密切相关. 空位型缺陷通常从位错割阶及层错交截处开始形核, 以单空位、层错四面体和不规则空位团等形式存在. 关键词： 纳米薄膜 塑性变形 空位 层错四面体     

纳米多晶铜的超塑性变形机理的分子动力学探讨

在聚能装药爆炸压缩形成射流的过程中, 伴随着金属药型罩的晶粒细化, 从原始晶粒30-80 μm细化到亚微米甚至纳米量级, 从微观层面研究其细化机理和动态超塑性变形机理具有很重要的科学意义. 采用分子动力学方法模拟了不同晶粒尺寸下纳米多晶铜的单轴拉伸变形行为, 得到了不同晶粒尺寸下的应力-应变曲线, 同时计算了各应力-应变曲线所对应的平均流变应力. 研究发现平均流变应力最大值出现在晶粒尺寸为14.85 nm时. 通过原子构型显示, 给出了典型的位错运动过程和晶界运动过程, 并分析了在不同晶粒尺寸下纳米多晶铜的塑性变形机理. 研究表明: 当晶粒尺寸大于14.85 nm时, 纳米多晶铜的变形机理以位错运动为主; 当晶粒尺寸小于14.85 nm时, 变形机理以晶界运动为主, 变形机理的改变是纳米多晶铜出现软化现象即反常Hall-Petch关系的根本原因. 通过计算结果分析, 建立了晶粒合并和晶界转动相结合的理想变形机理模型, 为研究射流大变形现象提供微观变形机理参考.     

冷轧和退火对V-5Cr-5Ti合金组织结构和抗辐照硬化性能的影响

钒合金(V-5Cr-5Ti)是聚变堆第一壁以及包层的重要候选结构材料。不同加工工艺会对钒合金在聚变堆中的服役性能产生影响。本文利用兰州重离子研究装置(HIRFL)提供的337 MeV的高能Fe离子对不同程度冷轧(冷变形量分别为40%、60%和80%)以及冷轧后退火(1 273 K退火1 h)的V-5Cr-5Ti合金样品进行了辐照,研究了不同的冷轧和退火处理过程对材料抗辐照硬化性能的影响。电子背散射衍射技术(EBSD)测试结果显示,随着冷变形量的增加,样品中细小破碎晶粒比例增大,晶粒平均尺寸减小。退火处理后,细小破碎晶粒出现一定程度的长大,大晶粒几乎全部消失,晶粒尺寸分布更加均匀。维氏硬度结果表明随着冷变形量的增加,硬度随之增加,退火后硬度降低。辐照之后,材料硬度升高,出现了辐照硬化效应。在冷轧样品和退火样品中都观察到了辐照硬化效应随冷变形量的增加显著减弱的现象,这表明冷变形可以显著提高材料的抗辐照硬化能力。结合EBSD和硬度数据,对冷变形和退火处理引起钒合金抗辐照硬化性能变化的机理进行了讨论。讨论结果显示,冷轧使材料总的吸收尾闾增大,引起辐照硬化程度降低,退火处理使材料中晶界密度和位错密度降低,材料的总吸收尾闾降低,辐照硬化效应增加。     

强激光辐照下纳米晶体铜薄膜层裂破坏的实验研究

采用强激光辐照加载技术和激光速度干涉(VISAR)测试技术,对纳米晶体铜薄膜的层裂特性进行实验测量和分析.基于VISAR实测的自由面速度波形,计算得到纳米晶体铜薄膜在超高拉伸应变率下的层裂强度高达3 GPa,明显高于多晶铜的层裂强度, 其原因归咎于纳米晶体材料中存在大量晶界阻碍了位错运动. 关键词： 纳米晶体铜薄膜 层裂 激光辐照     

纳米单晶与多晶铜薄膜力学行为的数值模拟研究

通过对不同温度下单晶薄膜的拉伸性能的分子动力学模拟，从微观角度揭示了温度效应对材料性能的影响. 结果表明温度效应对材料的变形机理影响很大.0K温度下由于缺乏热激活软化的影响, 粒子运动所受到的阻碍较大, 薄膜的强度较高, 塑性变形主要来自于粒子的短程滑移.温度升高，粒子的热运动加剧，屈服强度降低, 塑性变形将主要来自于大范围的位错长程扩展.多晶薄膜的模拟结果表明, 虽然其晶粒形状较为特殊, 但是它仍然遵循反Hall-Petch关系.在模拟过程中，侧向应力最大值比拉伸方向应力的最大值滞后出现.位错只会从晶界产生并向晶粒内部传播，晶粒间界滑移是多晶薄膜塑性变形的主要来源. 关键词： 纳米薄膜 变形机理 温度效应 分子动力学     

晶粒尺寸对纳米多晶铁变形机制影响的模拟研究

利用分子动力学模拟方法研究了拉伸荷载作用下晶粒尺寸对纳米多晶铁变形机制的影响.研究结果表明杨氏模量随着晶粒尺寸的减小而减小.当晶粒尺寸小于15.50 nm时,纳米多晶铁的峰值应力和晶粒尺寸之间遵循反常的Hall-Petch关系,此时晶粒旋转和晶界迁移是其塑性变形的主要变形机制;随着晶粒尺寸的增大,变形孪晶和位错滑移在其塑性变形过程中逐渐占据主导地位.裂纹的形成是导致大晶粒尺寸模型力学性能降低的主要因素.纳米多晶铁在塑性变形中会出现孪晶界的迁移和退孪晶现象.此外还研究了温度对纳米多晶铁变形机制的影响.     

强激光辐照下纳米晶体铜薄膜层裂破坏的实验研究

采用强激光辐照加载技术和激光速度干涉(VISAR)测试技术，对纳米晶体铜薄膜的层裂特性进行实验测量和分析.基于VISAR实测的自由面速度波形，计算得到纳米晶体铜薄膜在超高拉伸应变率下的层裂强度高达3 GPa，明显高于多晶铜的层裂强度, 其原因归咎于纳米晶体材料中存在大量晶界阻碍了位错运动.     

基于声子晶体位错理论的二维超声塑料焊接系统

为了有效改善二维工具头辐射面振幅分布不均匀的问题,对二维超声塑料焊接系统进行了优化设计研究:首先,利用横向位错在大尺寸长条形工具头上构造近周期声子晶体同质位错结,调节带隙的宽度和位置,使得二维超声塑料焊接系统的工作频率位于工具头的横向振动的带隙内,进而有效地控制工具头X方向的横向振动;其次,利用近周期声子晶体斜槽结构进一步优化辐射面的振幅分布均匀度,并分析了斜槽结构参数对超声塑料焊接系统纵向共振频率和振幅分布均匀度的影响规律.模拟仿真结果表明,近周期声子晶体同质位错结和斜槽结构能够实现对二维超声塑料焊接系统的优化,为横向振动抑制理论的进一步研究提供了基础.     

多晶银纳米线拉伸变形的分子动力学模拟研究

纳米尺度金属Ag以其独特的导电和导热性,广泛应用于微电子、光电子学、催化等领域,特别是在纳米微电极和纳米器件方面的应用.本文采用分子动力学方法模拟了不同晶粒尺寸下多晶银纳米线的拉伸变形行为,详细分析了晶粒尺寸对多晶银纳米线弹性模量、屈服强度、塑性变形机理的影响.发现当晶粒尺寸小于13.49 nm时,多晶Ag纳米线呈现软化现象,出现反Hall-Petch关系,此时的塑性变形机理主要以晶界滑移、晶粒转动为主,变形后期形成五重孪晶;当晶粒尺寸大于13.49 nm时,塑性变形以位错滑移为主,变形后期产生大量的孪晶组织.     

Grain-boundary hardening in polycrystalline copper-based solid solutions

A study is made of the contribution of grain-boundary hardening to the overall hardening in a polycrystalline material on the basis of Ashby's model. Yield curves are used for copper-based solid solutions in polycrystalline and singlecrystal forms. It is shown that the contribution from statistically accumulated dislocations to the yield stress in a polycrystalline specimen reflects the behavior of the corresponding single crystal. The contribution from grain boundaries to the yield stress can be described in terms of the additional dislocation density due to the joint grain deformation in the aggregate up to high strains. At low strains, the main role in hardening of a polycrystalline material is played by the grain boundaries. This extends up to larger strains as the strain temperature is reduced and the alloy-element concentration increases.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 1, pp. 47–52, January, 1984.     

Dislocation density-based constitutive model for the mechanical behaviour of irradiated Cu

Performance degradation of structural steels in nuclear environments results from the formation of a high number density of nanometre-scale defects. The defects observed in copper-based alloys are composed of vacancy clusters in the form of stacking fault tetrahedra and/or prismatic dislocation loops that impede the motion of dislocations. The mechanical behaviour of irradiated copper alloys exhibits increased yield strength, decreased total strain to failure and decreased work hardening as compared to their unirradiated behaviour. Above certain critical defect concentrations (neutron doses), the mechanical behaviour exhibits distinct upper yield points. In this paper, we describe the formulation of an internal state variable model for the mechanical behaviour of such materials subject to these (irradiation) environments. This model has been developed within a multiscale materials-modelling framework, in which molecular dynamics simulations of dislocation–radiation defect interactions inform the final coarse-grained continuum model. The plasticity model includes mechanisms for dislocation density growth and multiplication and for irradiation defect density evolution with dislocation interaction. The general behaviour of the constitutive (homogeneous material point) model shows that as the defect density increases, the initial yield point increases and the initial strain hardening decreases. The final coarse-grained model is implemented into a finite element framework and used to simulate the behaviour of tensile specimens with varying levels of irradiation-induced material damage. The simulation results compare favourably with the experimentally observed mechanical behaviour of irradiated materials.     

质子辐照对纯铝薄膜微观结构的影响

利用透射电子显微镜(TEM)详细分析了不同剂量的质子辐照纯铝薄膜样品的微观结构, 质子的能量E=160 keV.实验表明,质子辐照能够在Al薄膜中诱发空位位错圈,在实验范围内,位错密度随辐照剂量的增加而增加;质子辐照在1×10¹¹—4×10¹¹/mm²范围内随辐照剂量的增加,位错圈数量密度以及位错圈尺寸都随之增加.在较高剂量6×10¹¹/mm²辐照下,位错圈数量密度减小,但其尺寸显著 关键词： 质子辐照 空位簇缺陷 位错圈 微观结构     

Dislocation and defect density-based micromechanical modeling of the mechanical behavior of fcc metals under neutron irradiation

A rate-independent dislocation and defect density-based evolution model is presented that captures the pre- and post-yield material behavior of fcc metals subjected to different doses of neutron radiation. Unlike previously developed phenomenological models, this model is capable of capturing the salient features of irradiation-induced hardening, including increase in yield stress followed by yield drop and non-zero stress offset from the unirradiated stress–strain curve. The key contribution is a model for the critical resolved slip resistance that depends on both dislocation and defect densities, which are governed by evolution equations based on physical observations. The result is an orientation-dependent non-homogeneous deformation model, which accounts for defect annihilation on active slip planes. Results for both single and polycrystalline simulations of OFHC copper are presented and are observed to be in reasonably good agreement with experimental data. Extension of the model to other fcc metals is straightforward and is currently being developed for bcc metals.     

Irradiation hardening of reactor pressure vessel steels due to the dislocation loop evolution

The irradiation hardening of reactor pressure vessel steels due to the formation of dislocation loops is analyzed. The analysis is based on the original model for the nucleation and subsequent evolution of dislocation loops in irradiated materials. The loop formation in displacement cascades is taken into account, along with the homogeneous clustering of point defects. The loop evolution is shown to contribute mainly to the athermal component of the yield stress, which is determined by interaction of gliding dislocations with strong barriers. Irradiation-induced hardening is evaluated as a function of irradiation dose and temperature, dose rate, material parameters and initial microstructure. The model results are compared with experimental data for neutron irradiated pressure vessel steels of various grades and with empirical low power expressions of the yield stress increase with increasing irradiation dose.     

Atomistic simulation of the stacking fault energy and grain shape on strain hardening behaviours of FCC nanocrystalline metals

ABSTRACT

Ultra-fine grained copper with nanotwins is found to be both strong and ductile. It is expected that nanocrystalline metals with lamella grains will have strain hardening behaviour. The main unsolved issues on strain hardening behaviour of nanocrystalline metals include the effect of stacking fault energy, grain shape, temperature, strain rate, second phase particles, alloy elements, etc. Strain hardening makes strong nanocrystalline metals ductile. The stacking fault energy effects on the strain hardening behaviour are studied by molecular dynamics simulation to investigate the uniaxial tensile deformation of the layer-grained and equiaxed models for metallic materials at 300?K. The results show that the strain hardening is observed during the plastic deformation of the layer-grained models, while strain softening is found in the equiaxed models. The strain hardening index values of the layer-grained models decrease with the decrease of stacking fault energy, which is attributed to the distinct stacking fault width and dislocation density. Forest dislocations are observed in the layer-grained models due to the high dislocation density. The formation of sessile dislocations, such as Lomer–Cottrell dislocation locks and stair-rod dislocations, causes the strain hardening behaviour. The dislocation density in layer-grained models is higher than that in the equiaxed models. Grain morphology affects dislocation density by influencing the dislocation motion distance in grain interior.     

Modelling and simulation of dynamic recrystallisation based on multi-phase-field and dislocation-based crystal plasticity models

ABSTRACT

The mechanical properties of metals used as structural materials are significantly affected by hot (or warm) plastic working. Therefore, it is industrially important to predict the microscopic behaviour of materials in the deformation process during heat treatment. In this process, a number of nuclei are generated in the vicinity of grain boundaries owing to thermal fluctuation or the coalescence of subgrains, and dynamic recrystallisation (DRX) occurs along with the deformation. In this paper, we develop a DRX model by coupling a dislocation-based crystal plasticity model and a multi-phase-field (MPF) model through the dislocation density. Then, the temperature dependence of the hardening tendency in the recrystallisation process is introduced into the DRX model. A multiphysics simulation for pure Ni is conducted, and then the validity of the DRX model is investigated by comparing the numerical results of microstructure formation and the nominal stress–strain curve during DRX with experimental results. The obtained results indicate that in the process of DRX, nucleation and grain growth occur mainly around grain boundaries with high dislocation density. As deformation progresses, new dislocations pile up and subsequent nucleation occurs in the recrystallised grains. The influence of such microstructural evolution appears as oscillation in the stress–strain curve. From the stress–strain curves, the temperature dependence in DRX is observed mainly in terms of the yield stress, the hardening ratio, and the change in the hardening tendency after nucleation occurs.     

强流脉冲电子束作用下金属纯Cu的微观结构状态——变形结构

为了研究金属的超快变形机理,利用强流脉冲电子束(HCPEB)技术对多晶纯Cu进行了辐照处理,并利用透射电子显微镜对HCPEB诱发的表面微结构进行了表征.实验结果表明,HCPEB轰击多晶纯Cu后,在轰击表层诱发了幅值极大的应力和极高的应变速率.1次HCPEB轰击材料表层的变形结构以交滑移形成的位错胞和位错缠结结构为主;多次轰击后平行的位错墙和孪晶是该区域的主要变形结构特征;原子面的扩散乃至位错攀移可在晶界和孪晶界上形成台阶结构.根据各自区域的变形结构特征,对相应的变形机理进行了探讨. 关键词： 强流脉冲电子束 多晶Cu 变形结构 孪晶     

Investigation of NaI(Tl)-Crystal Having Anomalous Inhomogeneity of Light Yield Spatial Distribution

An experiment with a layer-by-layer irradiation of the large volume NaI(Tl)-crystal has been performed. The inhomogeneity of the light yield spatial distribution along the crystal’s axis was revealed. A new method of accounting for the revealed inhomogeneity in the processing of the gamma-ray spectra registered using a crystal with nonuniform response is proposed. This method is quite universal: the conventional stages of the detector investigation (the calibration with standard gamma-ray sources and the inhomogeneity estimation using a layer-by-layer irradiation) are complemented by another one stage with computing of the absorbed energy distribution using Monte Carlo simulation. Finally, based on the results of these stages, the combined broadening function is formed for calculation of the response function.