共查询到20条相似文献,搜索用时 31 毫秒
1.
采用晶体相场模型模拟获得了平均晶粒尺寸从11.61–31.32 nm的纳米晶组织, 研究了单向拉伸过程纳米晶组织的强化规律的微观变形机理. 模拟结果表明: 晶粒转动、晶界迁移等晶间变形行为是纳米晶材料的主要微观变形方式, 纳米晶尺寸减小, 有利于晶粒转动, 使屈服强度降低, 显示出反霍尔-佩奇效应.当纳米晶较小时, 变形量超过屈服点达到4%, 位错运动开启, 其对变形的直接贡献有限, 主要通过改变晶界结构而影响变形行为, 位错运动破坏三叉晶界, 引发晶界弯曲, 促进晶界迁移. 随纳米晶增大, 晶粒转动困难, 出现晶界锯齿化并发射位错的现象.
关键词:
晶体相场
纳米晶
反霍尔-佩奇效应
微观变形 相似文献
2.
ABSTRACT Molecular dynamics simulations were used to study the atomic mechanisms of deformation of nanocrystalline gold with 2.65–18?nm in grain size to explore the inverse Hall–Petch effect. Based on the mechanical responses, particularly the flow stress and the elastic-to-plastic transition, one can delineate three regimes: mixed (10–18?nm, dislocation activities and grain boundary sliding), inverse Hall-Petch (5–10?nm, grain boundary sliding), and super-soft (below 5?nm). As the grain size decreases, more grain boundaries present in the nanocrystalline solids, which block dislocation activities and facilitate grain boundary sliding. The transition from dislocation activities to grain boundary sliding leads to strengthening-then-softening due to grain size reduction, shown by the flow stress. It was further found that, samples with large grain exhibit pronounced yield, with the stress overshoot decrease as the grain size decreases. Samples with grain sizes smaller than 5?nm exhibit elastic-perfect plastic deformation without any stress overshoot, leading to the super-soft regime. Our simulations show that, during deformation, smaller grains rotate more and grow in size, while larger grains rotate less and shrink in size. 相似文献
3.
Jiejie Li Binbin Lu Hongjian Zhou Chenyao Tian Yuehui Xian Guoming Hu Re Xia 《Physics letters. A》2019,383(16):1922-1928
A series of molecular dynamics simulations has been carried out to study the mechanical properties of nanocrystalline platinum. The effects of average grain size and temperature on mechanical behaviors are discussed. The simulated uniaxial tensile results indicate the presence of a critical average grain size about 14.1 nm, for which there is an inversion of the conventional Hall-Petch relation at temperature of 300 K. The transition can be explained by a change of dominant deformation mechanism from dislocation motion for average grain size above 14.1 nm to grain boundary sliding for smaller grain size. The Young's modulus shows a linear relationship with the reciprocal of grain size, and the modulus of the grain boundary is about 42% of that of the grain core at 300 K. The parameters of mechanical properties, including Young's modulus, ultimate strength, yield stress and flow stress, decrease with the increase of temperature. It is noteworthy that the critical average grain size for the inversion of the Hall-Petch relation is sensitive to temperature and the Young's modulus has an approximate linear relation with the temperature. The results will accelerate its functional applications of nanocrystalline materials. 相似文献
4.
The material properties of nanocrystallines are known to generally have a strong dependence on their nanoscale morphology, such as the grain size. The Hall-Petch effect states that the mechanical strength of nanocrystalline materials can vary substantially for a wide range of grain sizes; this is attributed to the competition between intergranular and intragranular deformations. We employed classical molecular dynamics simulations to investigate the morphology-dependent mechanical properties of nanocrystalline copper. The degradation of material properties under thermal load was investigated during fast strain rate deformation, particularly for the grain size. Our simulation results showed that the thermal load on the nanocrystalline materials alters the grain-size behavior of the mechanical properties. 相似文献
5.
The temperature-rate dependences of strain resistance and the mechanisms of grain boundary sliding in Pb polycrystals and Pb-based alloys under active tension were investigated. The activation energy of plastic deformation and grain boundary sliding was determined. The structural mechanisms of grain boundary sliding were studied in a wide temperature range. The conclusion was made that self-consistency of grain boundary sliding and intragranular plastic flow has its origin in rotational deformation modes, with the grain boundary sliding being a primary process. Theoretical analysis of rotational deformation modes involved in grain boundary sliding was performed. It is shown that the dependence of deforming stress on the polycrystal grain size is impossible to describe by one universal Hall-Petch equation. 相似文献
6.
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. 相似文献
7.
G. A. Malygin 《Physics of the Solid State》2007,49(6):1013-1033
This review is devoted to the effect of grain boundaries on the deformational and strength properties of poly-, micro-, and nanocrystalline materials (predominantly metals). The main experimental facts and mechanisms concerning the dislocation structure and mechanical behavior of these materials over wide ranges of temperatures and grain sizes are presented. The experimentally established regularities are analyzed theoretically in terms of equations of dislocation kinetics taking into account the properties of grain boundaries as barriers, sources, and sinks for dislocations and as places where dislocations annihilate. The origin of the Hall-Petch relations for the yield stress and the flow stress as functions of the grain size, as well as the deviations from these relations observed in nano- and microcrystalline materials, is discussed in detail in terms of the dislocation-kinetics approach. Embrittlement of micro- and nanocrystalline materials at low temperatures and superplasticity of these materials at elevated temperatures are also analyzed in terms of the dislocation-kinetics approach. 相似文献
8.
The parameters of plastic deformation macrolocalization are compared to the parameters of the Hall-Petch relation for the
flow stress in polycrystalline aluminum samples with a grain size of 0.008–5.000 mm. Two types of the dependence of the localized
plastic deformation autowave length on the grain size and two versions of hardening according to the Hall-Petch relation are
found in the grain size range under study. The boundary between these versions is shown to correspond to d ≈ 0.1 mm for both cases. A relation between localized plastic flow patterns and the Hall-Petch relation is revealed. 相似文献
9.
Strain incompatibility and its influence on grain coarsening during cyclic deformation of ARB copper
Charles C.F. Kwan 《哲学杂志》2013,93(9):1065-1079
It is well known that the characteristic length scale in ultra-fine grained and nanocrystalline metals has a significant effect on the mechanical behaviour. The inhibited ability to accommodate imposed strain with conventional dislocation mechanism has led to the activation of unconventional deformation mechanisms. For one, grain coarsening at shear bands has been observed to occur within metals with sub-micron grain size upon cyclic deformation. Such grain coarsening is often linked to the observed cyclic softening behaviour. The purpose of this study was to investigate the relationship between strain localisation associated with shear banding and the observed deformation-induced grain coarsening in ultra-fine grained metals. The investigation was carried out using ultra-fine grained, oxygen-free high conductivity copper processed by accumulative roll-bonding. A close relationship between strain localisation and deformation-induced grain coarsening was revealed. As strain localisation is not only found at shear bands, but also at other places whereby heterogeneous microstructure or geometric discontinuity is present, hence the present study bears a general significance. Such strain localisation sites may also include a hard constituent embedded in a relatively ductile matrix, micro-crack tips and artificial notches. The stress concentration at these sites provides a high input of strain energy for grain boundary motion leading to grain coarsening. Furthermore, when the grain size is very small, the stress gradient leading away from the stress concentration sites is also believed to increase the driving force for grain boundary migration within the affected regions. 相似文献
10.
We report three-dimensional atomistic molecular dynamics studies of grain growth kinetics in nanocrystalline Ni. The results show the grain size increasing linearly with time, contrary to the square root of the time kinetics observed in coarse-grained structures. The average grain boundary energy per unit area decreases simultaneously with the decrease in total grain boundary area associated with grain growth. The average mobility of the boundaries increases as the grain size increases. The results can be explained by a model that considers a size effect in the boundary mobility. 相似文献
11.
G. E. Abrosimova A. S. Aronin I. I. Zver’kova A. F. Gurov Yu. V. Kir’yanov 《Physics of the Solid State》1998,40(1):8-13
Radiography, differential scanning calorimetry, luminescence and high-resolution electron microscopy are used to study the
production, nanocrystalline structure, stability, and microhardness of alloys from the Ni-Mo-B system containing from 27 at.
% to 31.5 at. % Mo and 10 at. % B. All studies of these alloys indicated that annealing at 600 °C leads to the creation of
a granular phase consisting of FCC nanocrystallites with average grain sizes of 15–25 nm, depending on the chemical composition
of the alloy. Annealing these nanocrystalline samples isothermally at a temperature of 600 °C has no appreciable effect on
the grain size. Structurally, the nanocrystalline phase consists of grains of an FCC solid solution of Mo and B in Ni, dispersed
in an amorphous matrix that isolates them from one another. The lattice parameters of the FCC nanocrystallites depend on the
alloy composition and the duration of their isothermal anneal. Within this latter time, molybdenum and boron atoms diffuse
from the FCC solid-solution lattice into the surrounding amorphous matrix. The stability of the nanocrystalline structure
is determined by the thermal stability of the amorphous matrix, whose crystallization temperature increases with the isothermal
annealing time due to enrichment by boron and molybdenum. As the structure forms, the alloy becomes harder as the nanocrystalline
grains grow in size. This relation between hardness and grain size, which is opposite to the Hall-Petch law, is explained
by hardening of the amorphous matrix due to changes in its chemical composition.
Fiz. Tverd. Tela (St. Petersburg) 40, 10–16 (January 1998) 相似文献
12.
A model describing mechanical behaviour of nanocrystalline materials (NC) obtained by crystallization from amorphous precursor is presented. In the framework of this model a structure of such NCs is represented as a composite consisting of amorphous matrix and absolutely rigid inclusions corresponding to crystalline phase. Dependencies of stress concentration coefficient and yield stress of NCs on the average grain size are obtained. It is shown that the dependence of the yield stress has a point of inflection at the critical grain size in the range of 20–25 nm and is inverse to the Hall-Petch relationship at grain sizes smaller than the critical one. The model predicts a formation of a superlattice from disclinations located in triple junctions of grains on the stage of NC plastic flow. A process of the plastic flow of NC's amorphous matrix and amorphous metallic alloys is described as a go-ahead mechanism of dislocation movement, which includes emission, absorption and reemission of dislocations by disclinations. 相似文献
13.
THE INFLUENCE OF GRAIN SIZE AND TEMPERATURE ON THE MECHANICAL DEFORMATION OF NANOCRYSTALLINE MATERIALS: MOLECULAR DYNAMICS SIMULATION 总被引:2,自引:0,他引:2 下载免费PDF全文
Nanocrystalline (nc) materials are characterized by a typical grain size of 1-100nm. The uniaxial tensile deformation of computer-generated nc samples, with several average grain sizes ranging from 5.38 to 1.79nm, is simulated by using molecular dynamics with the Finnis-Sinclair potential. The influence of grain size and temperature on the mechanical deformation is studied in this paper. The simulated nc samples show a reverse Hall-Petch effect. Grain boundary sliding and motion, as well as grain rotation are mainly responsible for the plastic deformation. At low temperatures, partial dislocation activities play a minor role during the deformation. This role begins to occur at the strain of 5%, and is progressively remarkable with increasing average grain size. However, at elevated temperatures no dislocation activity is detected, and the diffusion of grain boundaries may come into play. 相似文献
14.
A theoretical model is proposed to describe the physical mechanisms of hardening and softening of nanocrystalline materials during superplastic deformation. According to this model, triple interface junctions are obstacles to glide motion of grain boundary dislocations, which are carriers of grain boundary glide deformation. Transformations of an ensemble of grain boundary dislocations that occur at triple interface junctions bring about the formation of partial dislocations and the local migration of triple junctions. The energy characteristics of these transformations are considered. Pileups of partial dislocations at triple junctions cause hardening and initiate intragrain lattice sliding. When the Burgers vectors of partial dislocations reach a critical value, lattice dislocations are emitted and glide into adjacent grains, thereby smoothing the hardening effect. The local migration of triple interface junctions (caused by grain boundary sliding) and the emission of lattice dislocations bring about softening of a nanocrystalline material. The flow stress is found as a function of the total plastic strain, and the result agrees well with experimental data. 相似文献
15.
利用分子动力学方法研究了不同晶粒度的纳米多晶铁在冲击压缩下的结构相变过程,模拟结果表明:纳米多晶铁的冲击结构相变(由体心立方(bcc)结构 α 相到六角密排(hcp)结构 ε 相)发生的临界冲击应力在15 GPa左右.纳米多晶铁在经过弹性压缩变形后,晶界导致的塑性变形开始发生,然后大多数相变从晶界成核并最终发展为大规模相变.不同变形过程在应力和粒子速度剖面上能得到清晰的体现,并通过微观原子结构分析分辨.冲击压缩后的微观结构以晶界原子和以fcc结构原子充当孪晶界的hcp原子为主.晶粒度明显影响晶界变形及相变
关键词:
冲击相变
纳米多晶铁
冲击波
分子动力学 相似文献
16.
The Hall-Petch (HP) law, that accounts for the effect of grain size on the plastic yield stress of polycrystals, is revisited in terms of the collective motion of interacting dislocations. Sudden relaxation of incompatibility stresses in a grain triggers aftershocks in the neighboring ones. The HP law results from a scaling argument based on the conservation of the elastic energy during such transfers. The Hall-Petch law breakdown for nanometric sized grains is shown to stem from the loss of such a collective behavior as grains start deforming by successive motion of individual dislocations. 相似文献
17.
For steady-state deformation caused by grain-boundary diffusion in hexagonal microstructures, the stress distribution on grain boundaries and the macroscopic strain rates are analysed by taking the effects of viscous grain-boundary sliding into account. The maximum normal stress and the extent of stress concentration are shown to decrease as the grain-boundary viscosity increases. For infinite viscosity and/or extremely small grain sizes, the distribution of the normal stress becomes uniform on grain boundaries. The strain rates are predicted by both the stress analysis and the energy balance method, and the two strain rates are consistent with each other. The predicted strain rates also decrease as the grain-boundary viscosity increases. The present analysis reveals that the grain-size exponent is dependent on the grain size and the grain-boundary viscosity: the exponent becomes unity for small grain sizes and/or high viscosity, while it is three for large grain sizes and/or low viscosity. Recent experimental observations that the strain rates of nano-sized grain are much lower than those predicted by grain-boundary diffusion are explained by the increasing contribution of viscous grain-boundary sliding with decreasing grain size. 相似文献
18.
19.
采用高分辨透射电镜、紫外和可见光Raman光谱及循环伏安法研究了1000 ℃下退火不同时间的硼掺杂纳米金刚石薄膜的微结构和电化学性能. 结果表明,随退火时间的延长,薄膜中纳米金刚石晶粒尺寸逐渐减小.当退火时间为0.5 h时, 金刚石晶粒尺寸由未退火样品的约15 nm减小为约8 nm, 金刚石相含量增加;当退火时间为2.0 h时,金刚石晶粒减小为2—3 nm, 此时晶界增多,金刚石相含量减少;退火时间为2.5 h时纳米金刚石晶粒尺寸和金刚石相含量又略有上升.晶粒尺寸和金刚石相含量的变化表明薄膜在退火过程中发生了金刚石和非晶碳相的相互转变.可见光Raman光谱测试结果表明,不同退火时间下, G峰位置变化趋势与ID/IG值变化一致,说明薄膜内sp2碳团簇较大时, 非晶石墨相的有序化程度较高.退火0.5, 1.0, 1.5和2.0 h时, 电极表面进行准可逆电化学反应,而未退火和退火时间为2.5 h时电极表面进行不可逆电化学反应.退火有利于提高薄膜电极的传质效率, 退火0.5 h时薄膜电极的传质效率最高,催化氧化性能最好.较小的晶粒尺寸、 较高的金刚石相含量以及纳米金刚石晶粒的均匀分布有利于提高电极表面反应的可逆性和催化氧化性能. 相似文献
20.
B. B. Straumal A. A. Myatiev P. B. Straumal A. A. Mazilkin S. G. Protasova E. Goering B. Baretzky 《JETP Letters》2010,92(6):396-400
The complete solubility of an impurity in a polycrystal increases with decreasing grain size, because the impurity dissolves
not only in the crystallite bulk but also on the grain boundaries. This effect is especially strong when the adsorption layers
(or the grain boundary phases) are multilayer. For example, the Mn solubility in the nanocrystalline films (where the size
of grains is ∼20 nm) is more than three times greater than that in the ZnO single crystals. The thin nanocrystalline Mn-doped
ZnO films in the Mn concentration range 0.1–47 at % have been obtained from organic precursors (butanoates) by the “liquid
ceramic” method. They have ferromagnetic properties, because the specific area of the grain boundaries in them is greater
than the critical value [B.B. Straumal et al., Phys. Rev. B 79, 205206 (2009)]. The high-resolution electron transmission microscopy studies show that the ZnO nanocrystalline grains with
the wurtzite lattice are separated by amorphous layers whose thickness increases with the Mn concentration. The morphology
of these layers differs greatly from the structure of the amorphous prewetting films on the grain boundaries in the ZnO:Bi2O3 system. 相似文献