CrMnFeCoNi纳米晶温度相关的拉伸行为研究

摘要：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。本文针对这一现象,利用分子动力学模拟对平均晶粒尺寸为6 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：低温下,塑性变形阶段,滑移系开动的较少,位错滑移所受的阻力越大,屈服强度和抗拉强度越大;模型破坏时,孔洞缺陷形核较慢,更多孔洞缺陷演化成断口,更多的断口分摊拉伸应变,使得高熵合金纳米晶的低温韧性更好。     

Creep and recovery of polypropylene/carbon nanotube composites

The creep and recovery of polypropylene/multi-walled carbon nanotube composites were studied. It was found for thermoplastics in general that the creep strain reduces with decreased temperature, and with enhanced content of carbon nanotubes. The incorporation of nanotubes improved the recovery property remarkably, especially at high temperature. The unrecovered creep strain of nanocomposites with content of 1 and 2.8 vol.% carbon nanotubes decreased by 53% and 73% compared to that of polymer matrix. To understand the mechanisms, the Burger’s model and Weibull distribution function were employed since the variations in the simulating parameters illustrated the influence of nano-fillers on the creep and recovery performance of the bulk matrix. To further study the recovery properties, the particular contribution of each Burger’s element to the total deformation was obtained and the recovery percentage was calculated. The time-temperature-superposition-principle was applied to predict the long-term creep behavior.     

Micromechanics and macromechanics of carbon nanotube-enhanced elastomers

The effects of carbon nanotubes on the mechanical behavior of elastomeric materials is investigated. The large deformation uniaxial tension and uniaxial compression stress-strain behaviors of a representative elastomer are first presented. This elastomer is then reinforced with multi-wall carbon nanotubes (MWNTs) and the influence of weight fraction of MWNTs on the large deformation behavior of the resulting composite is quantified. The initial stiffness and subsequent strain-induced stiffening at large strains are both found to increase with MWNT content. The MWNTs are also found to increase both the tensile strength and the tensile stretch at break. A systematic approach for reducing the experimental data to isolate the MWNT contribution to the strain energy of the composite is presented. A constitutive model for the large strain deformation behavior of MWNT-elastomer composites is then developed. The effects of carbon nanotubes are modeled via a constitutive element which tracks the stretching and rotation of a distribution of wavy carbon nanotubes. The MWNT strain energy contribution is due to the bending/unbending of the initial waviness and provides the increase in initial stiffness as well as the retention and further enhancement of the increase in stiffness with large strains. The model is shown to track the stretching and rotation of the CNTs with macroscopic strain as well as predict the dependence of the macroscopic stress-strain behavior on the MWNT content for both uniaxial tension and uniaxial compression.     

Analysis of cavitation problem of heated elastic composite ball

The cavitation problem of a composite ball under a uniform temperature is investigated, and the ball is composed of two elastic solid materials. The nonlinear mathematical model of the problem is established with the finite logarithmic strain measure for a large geometric deformation and by the Hooke law for elastic materials. The analytic solutions in a parametric form are derived for the thermal dilatation of the composite ball with a large elastic deformation. Solution curves are given to describe the variations of the critical temperature in the cavitation with the geometric and material parameters. The bifurcation curve is also given to reveal the cavity growth after void nucleation. The numerical results for a computational example indicate that the radius of the cavity will rapidly grow above the critical temperature, and the loop stress will become infinite when void nucleation. This means that the materials near the cavity will produce a plastic deformation leading to local failure and fracture if the material of the internal ball is elastoplastic. In addition, the cavitation of the composite ball appears at a low temperature if the elastic property of the material of the internal ball is nearly uncompressible.     

Temperature dependant polycrystal model application to bainitic steel behavior under tri-axial loading in the ductile–brittle transition

A polycrystal finite element (FE) model describing the temperature evolution of low carbon steel is proposed in order to forecast the local mechanical fields as a function of temperature, for bainitic microstructure submitted to tri-axial loading. The model is designed for finite strains, large lattice rotations and temperatures ranging into the brittle–ductile transition domain. The dislocation densities are the internal variables. At low temperature in Body Centred Cubic (BCC) materials, plasticity is governed by double kink nucleation of screw dislocations, whereas at high temperature, plasticity depends on interactions between mobile dislocations and the forest dislocations. In this paper, the constitutive law and the evolution of the dislocation densities are written as a function of temperature and describe low and high temperature mechanisms. The studied aggregates are built from Electron Back Scattering Diffraction (EBSD) images of real bainitic steel. The aggregate is submitted to a tri-axial loading in order to describe the material at a crack tip. Mechanical parameters are deduced from mechanical tests. The local strain and stress fields, computed for different applied loadings, present local variations which depend on temperature and on tri-axial ratio. The distribution curves of the maximal principal stresses show that heterogeneities respectively increase with temperature and decrease with tri-axial ratio. A direct application of this model provides the evaluation of the rupture probability within the aggregate, which is treated as the elementary volume in the weak link theory. A comparison with the Beremin criterion calibrated on experimental data, shows that the computed fracture probability dispersion induced by the stress heterogeneities is of the same order than the measured dispersion. Temperature and stress tri-axiality ratio effects are also investigated. It is shown that these two parameters have a strong effect on fracture owing to their influence on the heterogeneous plastic strain. These inhomogeneities can initiate cleavage fracture.     

An analytical molecular structural mechanics model for the mechanical properties of carbon nanotubes

An analytical molecular structural mechanics model for the prediction of mechanical properties of defect-free carbon nanotubes is developed by incorporating the modified Morse potential with an analytical molecular structural model. The developed model is capable of predicting Young’s moduli, Poisson’s ratios and stress–strain relationships of carbon nanotubes under tension and torsion loading conditions. Results on the mechanical properties of single-walled carbon nanotubes show that Young’s moduli of carbon nanotubes are sensitive to the tube diameter and the helicity. Young’s moduli of both armchair and zigzag carbon nanotubes increase monotonically and approach Young’s modulus of graphite when the tube diameter is increased. The nonlinear stress–strain relationships for defect-free nanotubes have been predicted, which gives a good approximation on the ultimate strength and strain to failure of nanotubes. Armchair nanotubes exhibit higher tensile strength than zigzag nanotubes but their torsion strengths are identical based on the present study. The present theoretical investigation provides a very simple approach to predict the mechanical properties of carbon nanotubes.     

延性金属膨胀环的运动及断裂的三维数值模拟

利用LS-DYNA三维动力有限元软件对延性金属环的膨胀运动与断裂进行数值模拟。在膨胀环圆周加入泊松随机分布断裂成核点,利用J-C本构模型,研究诸如颈缩形成时间、颈缩区与均匀变形区的温度、应力、应变的对比等颈缩形成机理,以及讨论了环圆周上断裂成核点的泊松随机分布碎裂特性的影响。数值计算结果与实验结果、理论分析结果吻合较好,表明施加泊松随机断裂成核点的数值模拟方法是合理的。     

A void nucleation and growth based damage framework to model failure initiation ahead of a sharp notch in irradiated bcc materials

A continuum damage framework is developed and coupled with an existing crystal plasticity framework, to model failure initiation in irradiated bcc polycrystalline materials at intermediate temperatures. Constitutive equations for vacancy generation due to inelastic deformation, void nucleation due to vacancy condensation, and diffusion-assisted void growth are developed. The framework is used to simulate failure initiation at dislocation channel interfaces and grain boundaries ahead of a sharp notch. Evolution of the microstructure is considered in terms of the evolution of inelastic deformation, vacancy concentration, and void number density and radius. Evolution of the damage, i.e., volume fraction of the voids, is studied as a function of applied deformation. Effects of strain rate and temperature on failure initiation are also studied. The framework is used to compute the fracture toughness of irradiated specimens for various loading histories and notch geometries. Crack growth resistance of the irradiated specimens are computed and compared to that of virgin specimens. Results are compared to available experimental data.     

Localized deformation and fracture of polycrystals at mesolevel

Recent experiments have shown that shear band formation and rotation of structural elements at the mesolevel are fundamental to the development of plastic deformation and fracture of solids. Attention should be focused on a mesovolume of deformed material because the local stress and strain differ from those averaged at the macroscale. The discrete nature of the microshears and restricted deformation of the mesofragments should be accounted for. Rotation of the different mesofragments being parts of a grain, grains, grain conglomerates, etc., plays an important role in plasticity. Moreover, knowledge of the local parameters is needed for developing plasticity theories and fracture criteria. Models have been proposed within the framework of the physical mesomechanics. They take into account structural elements of different scales for simulating shear band nucleation and propagation in addition to mesofragment rotations. Calculations have been made for different mesovolumes under dynamic loading. In this work, a new criterion of plasticity is considered at the mesolevel. It accounts for the nucleation of plastic shears at the surfaces and interaction of structural elements. The numerical technique combines both the continuum mechanics approach and discrete cellular automata method.     

On strain and damage interactions during tearing: 3D in situ measurements and simulations for a ductile alloy (AA2139-T3)

Strain and damage interactions during tearing of a ductile Al-alloy with high work hardening are assessed in situ and in 3D combining two recently developed experimental techniques, namely, synchrotron laminography and digital volume correlation. Digital volume correlation consists of registering 3D laminography images. Via simultaneous assessments of 3D strain and damage at a distance of 1-mm ahead of a notch root of a thin Compact Tension-like specimen, it is found that parallel crossing slant strained bands are active from the beginning of loading in a region where the crack will be slanted. These bands have an intermittent activity but are stable in space. Even at late stages of deformation strained bands can stop their activity highlighting the importance of plasticity on the failure process rather than damage softening. One void is followed over the loading history and seen to grow and orient along the slant strained band at very late stages of deformation. Void growth and strain are quantified. Gurson–Tvergaard–Needleman-type simulations using damage nucleation for shear, which is based on the Lode parameter, are performed and capture slant fracture but not the initial strain fields and in particular the experimentally found slant bands. The band formation and strain distribution inside and outside the bands are discussed further using plane strain simulations accounting for plastic material heterogeneity in soft zones.     

POSTBUCKLING OF CARBON NANOTUBES SUBJECTED TO CYCLIC LOAD

This study focuses on the postbuckling and the nonlinear behavior of single-walled carbon nanotubes subject to a cyclic axial compressive load through the use of molecular dynamic simulation based on the Tersoff-Brenner potential. It reveals the bifurcation behavior in the buckling process simulated with very fine time steps. In the whole cycle of nonlinear deformation, the carbon nanotubes exhibit the profound hysteretic behavior and the energy absorption ability. The molecular dynamics simulation indicates that the carbon nanotube behaves approximately as an ideal plastic spring when the cyclic strain is applied within the same postbuckling mode. In comparison, the theory of continuum mechanics gives a good prediction about the critical buckling strength, but only provides a rough estimation for the post-buckling behaviors.     

Identification of damage mechanism and validation of a fracture model based on mesoscale approach in spalling of titanium alloy

The subject of this paper is identification of the physical mechanisms of spalling at low impact velocities for Ti–6Al–4V alloy and determination of the macroscopic stress of spalling via meso-macro approach. Spalling is a specific mode of fracture which depends on the loading history. The aspects of the initial microstructure and its evolution during plastic deformation are very important. In order to identify the spalling physical mechanisms in titanium alloy, numerous pictures by the optical microscopy of the spall surfaces created by plate impact technique have been taken. The scenario of failure observed is in complete agreement with known physical micro-mechanisms: namely nucleation, propagation and coalescence by adiabatic shearing of micro-voids. The most interesting point in spall fracture of Ti–6Al–4V alloy is the nucleation of micro-voids. A significant amount of small micro-voids in the region of the expected spall plane has been observed. It appears that microstructural effects are important due to dual α–β phase microstructure, called Widmanstätten structure. The orientation of microstructure has a direct influence on nucleation mechanism by means of distribution of nucleation sites and decohesion between the softer particles (α-phase lamellae) and the harder lattice (β-phase). According to these observations, a fracture model has been developed. This model is based on the numerous post-mortem microscopic observations of spall specimens. The goal is to determine the macroscopic stress of spalling in function of loading time and damage level via a meso-macro approach.     

The role of heterogeneous deformation on damage nucleation at grain boundaries in single phase metals

The mechanical response of engineering materials evaluated through continuum fracture mechanics typically assumes that a crack or void initially exists, but it does not provide information about the nucleation of such flaws in an otherwise flawless microstructure. How such flaws originate, particularly at grain (or phase) boundaries is less clear. Experimentally, “good” vs. “bad” grain boundaries are often invoked as the reasons for critical damage nucleation, but without any quantification. The state of knowledge about deformation at or near grain boundaries, including slip transfer and heterogeneous deformation, is reviewed to show that little work has been done to examine how slip interactions can lead to damage nucleation. A fracture initiation parameter developed recently for a low ductility model material with limited slip systems provides a new definition of grain boundary character based upon operating slip and twin systems (rather than an interfacial energy based definition). This provides a way to predict damage nucleation density on a physical and local (rather than a statistical) basis. The parameter assesses the way that highly activated twin systems are aligned with principal stresses and slip system Burgers vectors. A crystal plasticity-finite element method (CP-FEM) based model of an extensively characterized microstructural region has been used to determine if the stress–strain history provides any additional insights about the relationship between shear and damage nucleation. This analysis shows that a combination of a CP-FEM model augmented with the fracture initiation parameter shows promise for becoming a predictive tool for identifying damage-prone boundaries.     

Effective bending modulus of carbon nanotubes with rippling deformation

This paper concerned with the relation of the bending moment to the bending curvature during bending of carbon nanotubes, and the relation between the rippling formation and the bending modulus. Based on the three-dimensional orthotropic theory of finite elasticity deformation, a non-linear bending moment–curvature relationship of carbon nanotubes which is the appearance of wavelike distortion on the inner arc of the bent nanotubes is simulated by using an advanced finite element analysis package, ABAQUS. Utilizing the non-linear bending moment–curvature relationship, the effective bending modulus of carbon nanotubes with different cross-sections are obtained by means of a bi-linear theory and a simplified vibration analysis method. The effective bending modulus of carbon nanotubes simulated in the paper is close to the measuring result presented in reference [Science 283 (1999) 1513].     

超临界CO_2作用下煤体膨胀变形规律试验研究

为解决采用应变片对超临界CO_2作用下煤体膨胀变形进行点测量时,试验结果离散性大、超临界CO_2作用导致应变片易脱离破损等问题,自主研发了具有施加热流力载荷功能的膨胀体积应变测量装置,对不同温度、压力的超临界CO_2作用下,煤体膨胀体积变形规律进行研究。结果表明:煤体膨胀体积应变随超临界CO_2作用时间增加呈现先增大后趋于稳定的变化规律;当孔隙压力不变时,膨胀体积应变随超临界温度的升高而增加,温度越高,达到稳定膨胀变形所需时间越长;当温度不变时,随着超临界孔隙压力增加,膨胀体积应变也随之增大,但达到稳定膨胀变形所需时间随孔隙压力的升高呈先增加后减少的趋势;超临界CO_2作用下,煤体体积应变随温度和孔隙压力均呈"S型"Logistic函数规律变化;膨胀体积应变对超临界温度和孔隙压力的变化率具有分区性,其变化率大小排序依次为:近临界区跨临界区高临界区。     

导电混凝土传感器的热变形与机敏性研究

摘要 本文设计了具有不同灵敏度的水泥基传感器。测试了传感器的热变形特征与机敏性规律。验证了传感器埋入混凝土进行结构变形检测的可行性。热膨胀系数测定实验发现：与传统认为的受热膨胀不同,添加了碳纳米管的传感器具有热胀-热缩特性。通过对比传感器单独加载与埋入混凝土中加载,发现了大掺量的碳纳米管传感器的压阻效应更易受到混凝土干缩应力的影响。在荷载作用下,传感器的压阻效应会发生变化：压缩应变导致导电填料间距减小致使传感器电阻率减小;微损伤的产生导致导电填料间距增大而致使传感器电阻率增大。两者的竞争机制形成了水泥基传感器压阻效应的非线性特征。本文根据实验结果和电子跃迁的隧道效应理论,建立了水泥基传感器的压阻模型。     

Deformation behaviour in advanced heat resistant materials during slow strain rate testing at elevated temperature

In this study, slow strain rate tensile testing at elevated temperature is used to evaluate the influence of temperature and strain rate on deformation behaviour in two different austenitic alloys. One austenitic stainless steel (AISI 316L) and one nickel-base alloy (Alloy 617) have been investigated. Scanning electron microscopy related techniques as electron channelling contrast imaging and electron backscattering diffraction have been used to study the damage and fracture micromechanisms. For both alloys the dominante damage micromechanisms are slip bands and planar slip interacting with grain bounderies or precipitates causing strain concentrations. The dominante fracture micromechanism when using a slow strain rate at elevated temperature, is microcracks at grain bounderies due to grain boundery embrittlement caused by precipitates. The decrease in strain rate seems to have a small influence on dynamic strain ageing at 650°C.     

Modifications to the Cauchy–Born rule: Applications in the deformation of single-walled carbon nanotubes

This paper presents a study of the Cauchy–Born (CB) rule as applied to the deformation analysis of single-walled carbon nanotubes (SWNTs) that are modeled as 2-dimensional manifolds. The C–C bond vectors in the SWNT are assumed to deform according to the local deformation gradient as per the CB rule or a modified version thereof. Aspects of the CB rule related to spatial inhomogeneity of the deformation gradient at the atomic scale are investigated in the context of a specific class of extension–twist deformation problems. Analytic expressions are derived for the deformed bond lengths using the standard CB rule as well as modified versions of the standard CB rule. Since the deformation map is conveniently prescribed in this work, it is possible to compare the performance of these deformation rules with the exact solution (i.e. the exact analytic expression for the deformed bond vectors) given directly by the deformation map. This approach provides insights into the CB rule and its possible modifications for use in more complicated deformations where an explicit deformation map is not available. Specifically, it is concluded that in the case of inhomogeneous deformations at the atomic scale for which the CB rule is only approximate (as demonstrated in Section 1 of this paper), the mean value theorem in calculus can be used as a guide to modify the CB rule and construct a more rigorous and accurate atomistic–continuum connection. The deformed bond lengths are used to formulate an enriched continuum hyperelastic strain energy density function based on interatomic potentials (the multi-body Tersoff–Brenner [Tersoff, J., 1988. New empirical approach for the structure and energy of covalent systems. Phys. Rev. B 37, 6991–7000; Brenner, D.W., 1990. Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films. Phys. Rev. B 42, 9458–9471] empirical interatomic potential for carbon-carbon bonds is used in this work). The deformation map (and hence the deformation gradient, the bond vectors and the continuum strain energy density) contains certain parameters, some of which are imposed and others determined as a result of energy minimization in the standard variational formulation. Numerical results for kinematic coupling and binding energy per atom are presented in the case of imposed extension and twist deformations on representative chiral, zig-zag and armchair nanotubes using the CB rule and its modifications. These results are compared with the exact solution based on the deformation map which serves as a basis for evaluating the efficacy of these deformation rules. The ideas presented in this paper can also be directly extended to other lattices.     

To determination of the strength of nanodimensional objects

We propose several versions of experiments for determining the strength of nanodimensional objects (nanotubes) contained in the specimens of the form of reinforcing elements of special composites. The experiment methodology foundations were developed and the experiment parameters were chosen on the basis of simulation of the nanotube deformation processes and its interaction with the matrix, which reflects the specific properties of materials in the scale of nanometer dimensions according to the approach proposed earlier. The strength of reinforcing elements is determined from the load at the moment of the change of the fracture mechanism (the transition from the predominate pulling the tubes out of the matrix to their fracture). Different methods for controlling the composite stress state are used: variation in the viscousmatrix strain rate in the reinforced filament testing and variation in the energy of the chemical interaction between the nanotube and the rigidmatrix for nanoobjects of special form such as the nanotube forest grown on a rigid substrate. In the last case, the fracture stresses in nanotubes arise at the moment of separation of an elastic cantilever adjusted to the glue film reinforced by nanotubes. The critical conditions of the fracturemechanism change in the end separation region correspond to the effective specificwork of structural failure.     

Size effects on stress concentration induced by a prolate ellipsoidal particle and void nucleation mechanism

There generally exist two void nucleation mechanisms in materials, i.e. the breakage of hard second-phase particle and the separation of particle–matrix interface. The role of particle shape in governing the void nucleation mechanism has already been investigated carefully in the literatures. In this study, the coupled effects of particle size and shape on the void nucleation mechanisms, which have not yet been carefully addressed, have been paid to special attention. To this end, a wide range of particle aspect ratios (but limited to the prolate spheroidal particle) is considered to reflect the shape effect; and the size effect is captured by the Fleck–Hutchinson phenomenological strain plasticity constitutive theory (Advance in Applied Mechanics, vol. 33, Academic Press, New York, 1997, p. 295). Detailed theoretical analyses and computations on an infinite block containing an isolated elastic prolate spheroidal particle are carried out to light the features of stress concentrations and their distributions at the matrix–particle interface and within the particle. Some results different from the scale-independent case are obtained as: (1) the maximum stress concentration factor (SCF) at the particle–matrix interface is dramatically increased by the size effect especially for the slender particle. This is likely to trigger the void nucleation at the matrix–particle interface by cleavage or atomic separation. (2) At a given overall effective strain, the particle size effect significantly elevates the stress level at the matrix–particle interface. This means that the size effect is likely to advance the interface separation at a smaller overall strain. (3) For scale-independent cases, the elongated particle fracture usually takes place before the interface debonding occurs. For scale-dependent cases, although the SCF within the particle is also accentuated by the particle size effect, the SCF at the interface rises at a much faster rate. It indicates that the probability of void nucleation by the interface separation would increase.