扩展位错攀移的高温蠕变机制

本文研究了扩展位错攀移的高温蠕变机制。在文献[1]提出的扩展割阶束集模型的基础上,求出了在外加应力作用下割阶束集所需的时间和扩展位错的攀移速率,从而推导出稳态蠕变速率的表达式。根据此表达式,稳态蠕变速率与层错能的三次方成正比。这与一般实验结果相符。文中还指出了在某些情况下偏离三次方关系的可能原因。 关键词：     

纳米压痕法测量Cu的室温蠕变速率敏感指数

把恒加载速率/载荷法（const.P·/P）和恒载荷法（const.P）相结合，提出了一个稳态加载和长时间保载的纳米压痕蠕变试验新方法.该方法不仅适用于高蠕变能力的低熔点材料，也适用于低蠕变能力和存在压痕尺寸效应的高熔点材料.用该方法确定Cu的室温蠕变速率敏感指数m为0.01，并发现其值不受加载段所用的P·/P值和达到的最大压入位移h-max的影响. 关键词： 纳米压痕 铜 蠕变 蠕变速率敏感指数     

低浓度甲烷均相燃烧动力学反应机理简化与分析

本文利用组分浓度敏感性分析法结合生成速率分析法,对甲烷动力学反应机理进行了简化,构建出一套含有18种组分、34步基元反应的简化机理。利用该简化机理与完整机理分别在瞬态及稳态零维均质模型中对低浓度甲烷反应过程进行了计算,并将计算结果进行了对比分析,结果表明在大尺度贫燃料区范围内简化机理与完整机理的计算结果吻合度较高,简化机理具有较高的精度。同时利用该简化机理在柱塞流模型中对低浓度甲烷均相反应程进行了预测,并与定温反应器中的实验结果进行了对比研究,实验结果证实简化机理对低浓度甲烷反应过程预测效果较好,该简化机理适用于计算低浓度甲烷均相反应过程。     

树脂基碳纤维复合材料各向异性导热系数研究

本文通过实验测试与数值预测结合研究了平纹、斜纹树脂基碳纤维复合材料的各向异性传热性能。实验方面,采用基于电加热膜加热的稳态"三明治"结构进行测试,得到了材料厚度与面内方向导热系数随温度的变化规律。模拟方面,观测复合材料内部微观结构,重构建立了代表性单胞模型,在三维方向分别模拟其一维稳态导热过程来预测材料不同方向的导热系数。研究结果表明,实验获得的树脂基碳纤维复合材料厚度与面内方向导热系数均随材料热面温度升高而近似线性增大,面内方向导热系数约为厚度方向的2.8倍,因密度相近,平纹、斜纹机织结构材料各主轴方向导热系数偏差小于10%。数值预测结果与实验结果基本符合,并对引起实验与数值结果偏差的来源进行分析。     

理论预测晶体表面吸附二维原子岛的形状

提出了凝结势概念用以建立一种预测晶体表面吸附二维原子岛几何结构的理论方法.基于半经验相互作用势（SEAM势和OJ势）的计算表明,同相外延生长的二维原子岛在Cu和Ag的（111）面呈现正六边形结构, 而在Pt（111）面呈现截角三角形状;Cu和Ag的（100）面二维岛则形成正方形.这些理论预测均与实验观测结果一致.由于凝结势的计算不受原子数量的限制,该模型可普遍应用于预测各种表面二维原子岛形状. 关键词： 表面吸附 二维原子岛 量子点     

激光汇聚Cr原子沉积的原子光学特性研究

利用激光汇聚原子沉积技术,实验上获得了一维Cr层光栅结构.经原子力显微镜测试,其周期常数为（212.8±0.2） nm,约等于激光驻波场波长的一半.根据半经典理论模型,采用Adams-Bashforth-Moulton算法进行数值求解,模拟了同等实验参数条件下的Cr原子运动轨迹,并对其原子光学特性进行分析.结果表明,模拟分析与实验结果符合得较好. 关键词： 原子光学 激光汇聚原子沉积 原子光学特性     

Ni-Al-Cr合金中团簇加连接原子模型的第一性原理计算

通过团簇加连接原子模型研究了Ni-Al-Cr合金的近程序结构和物理特性.以Al原子为中心,其周围第一近邻的12个Ni原子作为壳层原子,位于次近邻的Al原子和Cr原子作为连接原子,即[Al-Ni₁₂]Al_xCr_3–x,其中x=0, 0.5, 1.0, 1.5, 2.0, 2.5.形成能表明团簇加连接原子模型对应的结构比其他结构更稳定.差分电荷密度显示了Ni, Al, Cr原子间的电荷密度转移主要聚集在Ni-Al和Ni-Cr之间,说明Ni-Al和Ni-Cr之间比AlCr和Ni-Ni更容易成键.能带结构显示了Ni-Al-Cr合金材料均具有导体性质,且Ni-3d, Al-3p和Ni-3d, Cr-3d之间发生了明显杂化效应,验证了Ni-Al和Ni-Cr之间存在较强的相互作用.     

利用一维原子链模型研究薄膜瞬态结构变化

对于晶格结构响应的仿真与实验有助于我们理解激光激发引起的动态过程.利用一维原子链模型研究了激光加热后由于温度分布不均匀性产生的热应力对晶格的影响,该模型的计算结果与使用超快X射线衍射获得的实验结果相符合.该模型为研究光激发金属以及半导体等材料的超快晶格动力学提供了理论分析基础.     

Y模型四能级原子辅助光力学系统的多稳现象

本文对Y模型四能级原子辅助光力学系统的稳态特性进行了研究.结果发现,构成复合光力学系统的振动腔镜和被束缚在腔内的原子系综将随着弹簧劲度系数的减小,由单稳态过渡到多稳态.在劲度系数很大时,振动腔镜对整个光力学系统几乎无作用,光力学系统和处在腔中的原子系综都将出现一个稳态解.而当劲度系数足够小时,振动腔镜的稳态位移出现了多稳现象,随之对处于光力学腔中的原子系综的稳态行为也产生了影响,不但使得原子系综的极化率呈现出多个稳态解,同时使得腔中的原子系综对探测光的吸收和色散也发生了相应的变化.同时发现,通过调节劲度系数的取值可以控制整个系统稳态解的个数.这些研究结果在精密测量或量子信息处理等方面具有潜在应用价值.     

燃煤烟气降温过程汞的均相化学反应动力学模拟

本文建立了燃煤烟气冷却过程中汞氧化的均相反应动力学模型,使用化学动力学软件Chemkin4.0.1,通过理论计算考察各种影响汞均相氧化的因素,并对实验电厂的烟气汞氧化过程进行模拟,与实验结果进行对比.模型显示600 K左右为典型燃煤烟气氧化速率最快的温度区间;煤中氯含量近线性增加汞的氧化;烟气中汞的氧化受到动力学控制,因而低的烟气降温速率有利于汞的氧化.对电厂烟气的模拟显示,600 K左右的空气预热器是汞氧化速率最快的区域;而在400 K左右的除尘器中因停留时间长,汞也得到了明显的氧化.均相化学反应动力学模型对电厂汞排放模拟的结果与实验显示了一定的吻合,但模型对大部分电厂汞的氧化预测结果均比实验值偏高,需要进一步完善.     

Constitutive description of primary and steady-state creep deformation behaviour of tempered martensitic 9Cr–1Mo steel

The model based on the coupled sine hyperbolic creep rate relation with the evolution of internal stress as a function of strain provides better understanding of primary and secondary creep behaviour of tempered martensitic 9Cr–1Mo steel. The predicted evolution of internal stress as an increase in the internal stress value (or, decrease in effective stress) with strain/time appropriately described the observed decrease in creep rate during primary creep in the steel. The applicability of the model has been demonstrated by comparing experimental and predicted creep strain–time and creep rate–strain/time data of 9Cr–1Mo steel at 793 and 873 K for quenched and tempered and simulated post-weld heat treatment conditions. Irrespective of prior heat treatment and test temperature, the optimised parameters associated with the internal stress values exhibited linear variations with applied stress. The influence of prior heat treatment on primary and secondary creep characteristics of the steel is reflected on the rate constant values associated with the model. At all temperatures and heat treatment conditions, good agreement between the experimental and predicted steady-state creep rates demonstrate the further applicability of the model.     

Grain size effects on microstructural stability and creep behaviour of nanotwinned Ni free-standing foils at room temperature

Creep tests were performed on the high stacking fault energy (SFE) nanotwinned (NT) Ni free-standing foils with nearly the same twin thickness at room temperature (RT) to investigate the effects of grain size and loading rate on their microstructural stability and creep behaviour. The grain growth mediated by the twinning/detwinning mechanism at low applied stresses (<800 MPa) and grain refinement via the detwinning mechanism at high applied stresses (>800 MPa) were uncovered in the present NT-Ni foils during RT creep, both of which are attributed to the interactions between dislocations and boundaries. It appears that a higher initial dislocation density leads to a faster primary creep strain rate and a slower steady-state creep strain rate. Unlike the non-twinned metals in which grain growth often enhances the creep strain rate, the twinning/detwinning-mediated grain growth process unexpectedly lowers the steady-state creep strain rate, whereas the detwinning-mediated grain refinement process accelerates the creep strain rate in the studied NT-Ni foils. A modified phase-mixture model combined with Arrhenius laws is put forward to predict the scaling behaviour between the creep strain rate and the applied stress, which also predicts the transition from grain growth-reduced to grain refinement-enhanced steady-state creep strain rate at a critical applied stress. Our findings not only provide deeper insights into the grain size effect on the mechanical behaviour of nanostructured metals with high SFE, but also benefit the microstructure sensitive design of NT metallic materials.     

Effect of the intermediate action of hydrostatic pressure on the high-temperature creep and durability of copper

The intermediate action of hydrostatic pressure on the high-temperature creep of copper is studied at various creep stages. Tests performed at a constant tensile stress of 12.5 MPa at 773 K show that the application of a pressure at the creep third stage decreases the steady-state creep rate and extends the time to failure. At the steady-state stage of creep, the effect of the pressure may be ignored. At pressures of up to 1 GPa, this effect is found to be only related to healing of grain-boundary porosity. At higher pressures, the steady-state creep rate is governed by porosity healing and structural changes.     

Molecular-Dynamics Simulation of Grain-Boundary Diffusion Creep

Molecular-dynamics (MD) simulations are used, for the first time, to study grain-boundary diffusion creep of a model polycrystalline silicon microstructure. Our fully dense model microstructures, with a grain size of up to 7.5 nm, were grown by MD simulations of a melt into which small, randomly oriented crystalline seeds were inserted. In order to prevent grain growth and thus to enable steady-state diffusion creep to be observed on a time scale accessible to MD simulations (of typically 10^-9s), our input microstructures were tailored to (i) have a uniform grain shape and a uniform grain size of nm dimensions and (ii) contain only high-energy grain boundaries which are known to exhibit rather fast, liquid-like self-diffusion. Our simulations reveal that under relatively high tensile stresses these microstructures, indeed, exhibit steady-state diffusion creep that is homogenous (i.e., involving no grain sliding), with a strain rate that agrees quantitatively with that given by the Coble-creep formula.     

Theories of Creep in Ceramics

Mathematical models that have been proposed for creep in ceramics are described. Emphasis is on models involving grain boundary motion (sliding or flow). In Lifshitz models the crystalline grains elongate with strain; the elongation results from diffusion, slip, or solution and precipitation. In Rachinger models the grains do not elongate during creep. The sliding strain can be accommodated by viscous flow of a glassy phase at the grain boundaries, or if there is no boundary glass by diffusion or slip in superplastic models. Sliding of a glass-free boundary can result in cavitation, cracking, or formation of boundary dislocations or triple point folds.

Most models of ceramic creep at high temperatures predict a steady state (stage II) creep rate that depends on the applied stress, grain size, and temperature. A general equation for the creep rate as a function of these factors, as well as the elastic modulus and a diffusion coefficient, is used to compare models. The models give different exponents for the functional dependence of creep rate on grain size and strain and different temperature dependencies. These differences are compared in tables, and the main mechanistic features of the models are described in the text.

The purpose of this review is to describe creep models rather than to compare them with experimental results or to select the most applicable models. There are few critical experimental tests that allow selection of the most accurate models; such experiments are suggested as the next step in choosing between the models for specific experimental results.     

Rate of creep due to grain-boundary diffusion in polycrystalline solids with grain-size distribution

For steady-state deformation caused by grain-boundary diffusion, the macroscopic creep rate is analysed for a three-dimensional polycrystal consisting of space-filling grains, by taking into account the effects of diffusional interaction between grains, viscous grain-boundary sliding and grain-size distributions. For regular polyhedral grains, the grain–grain interactions increase the degree of symmetry of diffusional field, resulting in a decrease of the effective diffusion distance. Meanwhile, both the viscous grain-boundary sliding and the grain-size distribution are found to decrease the creep rate. At decreasing grain sizes, the influence of the viscous grain-boundary sliding becomes increasingly important, which explains the recent experimental observations that the creep rates of nanosized grains are much lower than those predicted by grain-boundary diffusion. On the effect of the grain-size distribution, the upper-bound and lower-bound creep rates are estimated.     

Estimation of copper activation parameters upon a transition from the exponential to power stress dependence of the creep rate

The results of estimation of activation parameters in the region of exponential (I) and power (II) dependences of the steady-state creep rate of polycrystalline copper on stress were represented. It is shown that the elastic long-range stress produced by dislocations in region I can be determined directly from the dependence of the creep rate on the stress. An energy criterion of the transition from creep region I to region II is proposed.     

Crystal plasticity modeling of irradiation growth in Zircaloy-2

Abstract

A physically based reaction-diffusion model is implemented in the visco-plastic self-consistent (VPSC) crystal plasticity framework to simulate irradiation growth in hcp Zr and its alloys. The reaction-diffusion model accounts for the defects produced by the cascade of displaced atoms, their diffusion to lattice sinks and the contribution to crystallographic strain at the level of single crystals. The VPSC framework accounts for intergranular interactions and irradiation creep, and calculates the strain in the polycrystalline ensemble. A novel scheme is proposed to model the simultaneous evolution of both, number density and radius, of irradiation-induced dislocation loops directly from experimental data of dislocation density evolution during irradiation. This framework is used to predict the irradiation growth behaviour of cold-worked Zircaloy-2 and trends compared to available experimental data. The role of internal stresses in inducing irradiation creep is discussed. Effects of grain size, texture and external stress on the coupled irradiation growth and creep behaviour are also studied and compared with available experimental data.     

Universal scaling in transient creep

We present experimental evidence that pressure solution creep does not establish a steady-state interface microstructure as previously thought. Conversely, pressure solution controlled strain and the characteristic length scale of interface microstructures grow as the cubic root of time. Transient creep with the same scaling is known in metallurgy (Andrade creep). The apparent universal scaling of pressure solution transient creep is explained using an analogy with spinodal dewetting.     

Alloying Effect on the Creep Mechanism and Creep Resistance of Polycrystals in the Concepts of Physical Mesomechanics

The effect of different slightly soluble alloy additions on the creep and individual creep-component behavior of lead at T = 0.5 T _cr under controlled conditions (high-purity polycrystals, the same grain size) is investigated on the basis of the concepts of physical mesomechanics. The additions used are shown to reduce the creep rate under these conditions. The effect of the slightly soluble alloy additions to the polycrystal on the steady-state creep rate is produced through grain-boundary sliding and localized-deformation banding near grain boundaries.