高压扭转铜试样的微观组织与压缩性能

通过高压扭转对铜试样施加不同程度的变形，研究了样品扭转面（ND面）和纵截面（TD面）上微观组织特征．对ND面，在较小的剪应变下，原始晶粒形貌模糊，晶粒内部形成等轴状的位错胞及亚晶结构；随变形量的增大，亚晶间取向差及亚晶内部的位错密度增大，最后形成亚微米尺度的等轴晶粒．对TD面，变形初期原始晶粒被拉长，晶粒内部为位错墙分割成的层状结构，层内为拉长的位错胞；随变形程度的增大，拉长晶粒的宽度减小，与剪切方向的夹角减小，晶内层状组织间距减小，并逐渐演化成拉长的亚晶组织；进一步增大变形，晶粒拉长痕迹消失，变形组织与ND面相似，为等轴状亚微米晶粒．压缩实验表明，经16圈扭转后，整个试样上的压缩性能基本均匀，σ0．2达到385MPa，应变率敏感性指数增大至0．021．

微纳米晶金属的应变率敏感性及应变硬化行为分析

基于亚微米、纳米晶粒组织塑性变形过程中多种变形机制(位错机制、扩散机制及晶界滑动机制)共存,建立了理论模型,用于定量研究亚微米、纳米晶粒组织的塑性变形行为.以铜为模型材料,计算分析了晶粒尺度、应变率以及温度对亚微米、纳米晶粒组织塑性变形行为的影响.结果表明:相比粗晶铜,亚微米晶铜表现出明显的应变率敏感性,并且应变率敏感系数随晶粒尺度及变形速率的减小而增大;同时,增大变形速率或降低变形温度都能提高材料的应变硬化能力,延缓颈缩发生,进而提高材料的延性.计算分析结果与实验报道吻合.

Smaller Deborah number inducing more serrated plastic flow of metallic glass

Spherical nano-indentations of Cu46Zr54 bulk metallic glass (BMG) model systems were performed using molecular dynamics (MD) computer simulations, focusing specifically on the physical origin of serrated plastic flow. The results demonstrate that there is a direct correlation between macroscopic flow serration and underlying irreversible rearrangement of atoms, which is strongly dependent on the loading (strain) rate and the temperature. The serrated plastic flow is, therefore, determined by the magnitude of such irreversible rearrangement that is inhomogeneous temporally. A dimensionless Deborah number is introduced to characterize the effects of strain rate and temperature on serrations. Our simulations are shown to compare favorably with the available experimental observations.

Formation of Single and Multiple Deformation Twins in Nanocrystalline fcc Metals

Deformation twins are often observed to meet each other to form multi-fold twins in nanostructured face-centered cubic (fcc) metals.Here we propose two types of mechanism for the nucleation and growth of four different single and multiple twins. These mechanisms provide continuous generation of twinning partials for the growth of the twins after ucleation. A relatively high stress or high strain rate is needed to activate these mechanisms, making them more prevalent in nanocrystalline materials than in their coarse-grained counterparts.Experimental observations that support the proposed mechanisms are presented.

Splitting the fast and slow motions in molecular dynamics simulations based on the change of cold potential well bottom

Abstract. The atomic motion is coupled by the fast and slow components due to the high frequency vibration of atoms and the low frequency deformation of atomic lattice, respectively. A two-step approximate method was presented to determine the atomic slow motion. The first step is based on the change of the location of the cold potential well bottom and the second step is based on the average of the appropriate slow velocities of the surrounding atoms. The simple tensions of one-dimensional atoms and two-dimensional atoms were performed with the full molecular dynamics simulations. The conjugate gradient method was employed to determine the corresponding location of cold potential well bottom. Results show that our two-step approximate method is appropriate to determine the atomic slow motion under the low strain rate loading. This splitting method may be helpful to develop more efficient molecular modeling methods and simulations pertinent to realistic loading conditions of materials.

Extracting material response from simple mechanical tests on hardening-softening-hardening viscoplastic solids

Compliant foams are usually characterized by a wide range of desirable mechanical properties. These properties include viscoelasticity at different temperatures, energy absorption, recoverability under cyclic loading, impact resistance, and thermal, electrical, acoustic and radiation-resistance. Some foams contain nano-sized features and are used in small-scale devices. This implies that the characteristic dimensions of foams span multiple length scales, rendering modeling their mechanical properties difficult. Continuum mechanics-based models capture some salient experimental features like the linear elastic regime, followed by non-linear plateau stress regime. However, they lack mesostructural physical details. This makes them incapable of accurately predicting local peaks in stress and strain distributions, which significantly affect the deformation paths. Atomistic methods are capable of capturing the physical origins of deformation at smaller scales, but suffer from impractical computational intensity. Capturing deformation at the so-called meso-scale, which is capable of describing the phenomenon at a continuum level, but with some physical insights, requires developing new theoretical approaches.

A fundamental question that motivates the modeling of foams is ‘how to extract the intrinsic material response from simple mechanical test data, such as stress vs. strain response?’ A 3D model was developed to simulate the mechanical response of foam-type materials. The novelty of this model includes unique features such as the hardening-softening-hardening material response, strain rate-dependence, and plastically compressible solids with plastic non-normality. Suggestive links from atomistic simulations of foams were borrowed to formulate a physically informed hardening material input function. Motivated by a model that qualitatively captured the response of foam-type vertically aligned carbon nanotube (VACNT) pillars under uniaxial compression [2011,“Analysis of Uniaxial Compression of Vertically Aligned Carbon Nanotubes,” J. Mech.Phys. Solids, 59, pp. 2227–2237, Erratum 60, 1753–1756 (2012)], the property space exploration was advanced to three types of simple mechanical tests: 1) uniaxial compression, 2) uniaxial tension, and 3) nanoindentation with a conical and a flat-punch tip. The simulations attempt to explain some of the salient features in experimental data, like
1) The initial linear elastic response.
2) One or more nonlinear instabilities, yielding, and hardening.

The model-inherent relationships between the material properties and the overall stress-strain behavior were validated against the available experimental data. The material properties include the gradient in stiffness along the height, plastic and elastic compressibility, and hardening. Each of these tests was evaluated in terms of their efficiency in extracting material properties. The uniaxial simulation results proved to be a combination of structural and material influences. Out of all deformation paths, flat-punch indentation proved to be superior since it is the most sensitive in capturing the material properties.

Towards understanding the mixing characteristics of turbulent buoyant flows

This work proposes a new simulation methodology in which variable density turbulent flows can be studied in the context of a mixing layer with or without the presence of gravity. Specifically, this methodology is developed to probe the nature of non-buoyantly-driven (i.e. isotropically-driven) or buoyantly-driven mixing deep inside a mixing layer. Numerical forcing methods are incorporated into both the velocity and scalar fields, which extends the length of time over which mixing physics can be studied. The simulation framework is designed to allow for independent variation of four non-dimensional parameters, including the Reynolds, Richardson, Atwood, and Schmidt numbers. Additionally, the governing equations are integrated in such a way to allow for the relative magnitude of buoyant energy production and non-buoyant energy production to be varied.

The computational requirements needed to implement the proposed configuration are presented. They are justified in terms of grid resolution, order of accuracy, and transport scheme. Canonical features of turbulent buoyant flows are reproduced as validation of the proposed methodology. These features include the recovery of isotropic Kolmogorov scales under buoyant and non-buoyant conditions, the recovery of anisotropic one-dimensional energy spectra under buoyant conditions, and the preservation of known statistical distributions in the scalar field, as found in other DNS studies.

This simulation methodology is used to perform a parametric study of turbulent buoyant flows to discern the effects of varying the Reynolds, Richardson, and Atwood numbers on the resulting state of mixing. The effects of the Reynolds and Atwood numbers are isolated by looking at two energy dissipation rate conditions under non-buoyant (variable density) and constant density conditions. The effects of Richardson number are isolated by varying the ratio of buoyant energy production to total energy production from zero (non-buoyant) to one (entirely buoyant) under constant Atwood number, Schmidt number, and energy dissipation rate conditions. It is found that the major differences between non-buoyant and buoyant turbulent flows are contained in the transfer spectrum and longitudinal structure functions, while all other metrics are largely similar (e.g. energy spectra, alignment characteristics of the strain-rate tensor). Also, despite the differences noted between fully buoyant and non-buoyant turbulent fields, the scalar field, in all cases, is unchanged by these. The mixing dynamics in the scalar field are found to be insensitive to the source of turbulent kinetic energy production (non-buoyant vs. buoyant).

Velocity resolved - scalar modeled simulations of high Schmidt number turbulent transport

The objective of this thesis is to develop a framework to conduct velocity resolved - scalar modeled (VR-SM) simulations, which will enable accurate simulations at higher Reynolds and Schmidt (Sc) numbers than are currently feasible. The framework established will serve as a first step to enable future simulation studies for practical applications. To achieve this goal, in-depth analyses of the physical, numerical, and modeling aspects related to Sc>>1 are presented, specifically when modeling in the viscous-convective subrange. Transport characteristics are scrutinized by examining scalar-velocity Fourier mode interactions in Direct Numerical Simulation (DNS) datasets and suggest that scalar modes in the viscous-convective subrange do not directly affect large-scale transport for high Sc. Further observations confirm that discretization errors inherent in numerical schemes can be sufficiently large to wipe out any meaningful contribution from subfilter models. This provides strong incentive to develop more effective numerical schemes to support high Sc simulations. To lower numerical dissipation while maintaining physically and mathematically appropriate scalar bounds during the convection step, a novel method of enforcing bounds is formulated, specifically for use with cubic Hermite polynomials. Boundedness of the scalar being transported is effected by applying derivative limiting techniques, and physically plausible single sub-cell extrema are allowed to exist to help minimize numerical dissipation. The proposed bounding algorithm results in significant performance gain in DNS of turbulent mixing layers and of homogeneous isotropic turbulence. Next, the combined physical/mathematical behavior of the subfilter scalar-flux vector is analyzed in homogeneous isotropic turbulence, by examining vector orientation in the strain-rate eigenframe. The results indicate no discernible dependence on the modeled scalar field, and lead to the identification of the tensor-diffusivity model as a good representation of the subfilter flux. Velocity resolved - scalar modeled simulations of homogeneous isotropic turbulence are conducted to confirm the behavior theorized in these a priori analyses, and suggest that the tensor-diffusivity model is ideal for use in the viscous-convective subrange. Simulations of a turbulent mixing layer are also discussed, with the partial objective of analyzing Schmidt number dependence of a variety of scalar statistics. Large-scale statistics are confirmed to be relatively independent of the Schmidt number for Sc>>1, which is explained by the dominance of subfilter dissipation over resolved molecular dissipation in the simulations. Overall, the VR-SM framework presented is quite effective in predicting large-scale transport characteristics of high Schmidt number scalars, however, it is determined that prediction of subfilter quantities would entail additional modeling intended specifically for this purpose. The VR-SM simulations presented in this thesis provide us with the opportunity to overlap with experimental studies, while at the same time creating an assortment of baseline datasets for future validation of LES models, thereby satisfying the objectives outlined for this work.

Small scale turbulence in high Karlovitz number premixed flames

The purpose of this thesis is to characterize the behavior of the smallest turbulent scales in high Karlovitz number (Ka) premixed flames. These scales are particularly important in the two-way coupling between turbulence and chemistry and better understanding of these scales will support future modeling efforts using large eddy simulations (LES). The smallest turbulent scales are studied by considering the vorticity vector, ω, and its transport equation.

Due to the complexity of turbulent combustion introduced by the wide range of length and time scales, the two-dimensional vortex-flame interaction is first studied as a simplified test case. Numerical and analytical techniques are used to discern the dominate transport terms and their effects on vorticity based on the initial size and strength of the vortex. This description of the effects of the flame on a vortex provides a foundation for investigating vorticity in turbulent combustion.

Subsequently, enstrophy, ω² = ω • ω, and its transport equation are investigated in premixed turbulent combustion. For this purpose, a series of direct numerical simulations (DNS) of premixed n-heptane/air flames are performed, the conditions of which span a wide range of unburnt Karlovitz numbers and turbulent Reynolds numbers. Theoretical scaling analysis along with the DNS results support that, at high Karlovitz number, enstrophy transport is controlled by the viscous dissipation and vortex stretching/production terms. As a result, vorticity scales throughout the flame with the inverse of the Kolmogorov time scale, τ_η, just as in homogeneous isotropic turbulence. As τ_η is only a function of the viscosity and dissipation rate, this supports the validity of Kolmogorov’s first similarity hypothesis for sufficiently high Ka numbers (Ka ≳ 100). These conclusions are in contrast to low Karlovitz number behavior, where dilatation and baroclinic torque have a significant impact on vorticity within the flame. Results are unaffected by the transport model, chemical model, turbulent Reynolds number, and lastly the physical configuration.

Next, the isotropy of vorticity is assessed. It is found that given a sufficiently large value of the Karlovitz number (Ka ≳ 100) the vorticity is isotropic. At lower Karlovitz numbers, anisotropy develops due to the effects of the flame on the vortex stretching/production term. In this case, the local dynamics of vorticity in the strain-rate tensor, S, eigenframe are altered by the flame. At sufficiently high Karlovitz numbers, the dynamics of vorticity in this eigenframe resemble that of homogeneous isotropic turbulence.

Combined, the results of this thesis support that both the magnitude and orientation of vorticity resemble the behavior of homogeneous isotropic turbulence, given a sufficiently high Karlovitz number (Ka ≳ 100). This supports the validity of Kolmogorov’s first similarity hypothesis and the hypothesis of local isotropy under these condition. However, dramatically different behavior is found at lower Karlovitz numbers. These conclusions provides/suggests directions for modeling high Karlovitz number premixed flames using LES. With more accurate models, the design of aircraft combustors and other combustion based devices may better mitigate the detrimental effects of combustion, from reducing CO₂ and soot production to increasing engine efficiency.

A model for nonlinear viscoelastic mechanical responses of collagenous soft tissues

Experimental observations of the time-dependent mechanical responses of collagenous tissues have demonstrated behavior that deviates from standard treatments of linear or quasi-linear viscoelasticity. In particular, time-dependent deformation can be strongly coupled to strain level, and strain-rate independence can be observed under monotonic loading, even for a tissue with dramatic stress relaxation. It was postulated that this nonlinearity is fundamentally associated with gradual recruitment of individual collagen fibrils during applied mechanical loading. Based on previously observed experimental results for the time-dependent response of collagenous soft tissues, a model is developed to describe the mechanical behavior of these tissues under uniaxial loading. Tissue stresses, under applied strain-controlled loading, are assumed to be a sum of elastic and viscoelastic stress contributions. The relative contributions of elastic and viscoelastic stresses is assumed to vary with strain level, leading to strain- and time-dependent mechanical behavior. The model formulation is examined under conditions of monotonic loading at varying constant strain rates and stress-relaxation at different applied strain levels. The model is compared with experimental data for a membranous biological soft tissue, the amniotic sac, and is found to agree well with experimental results. The limiting behavior of the novel model, at large strains relative to the collagen recruitment, is consistent with the quasi-linear viscoelastic approach. © 2006 Materials Research Society.

Effects of turbulent reynolds number on the displacement speed statistics in the thin reaction zones regime of turbulent premixed combustion

The effects of turbulent Reynolds number on the statistical behaviour of the displacement speed have been studied using three-dimensional Direct Numerical Simulation of statistically planar turbulent premixed flames. The probability of finding negative values of the displacement speed is found to increase with increasing turbulent Reynolds number when the Damkhler number is held constant. It has been shown that the statistical behaviour of the Surface Density Function, and its strain rate and curvature dependence, plays a key role in determining the response of the different components of displacement speed. Increasing the turbulent Reynolds number is shown to reduce the strength of the correlations between tangential strain rate and dilatation rate with curvature, although the qualitative nature of the correlations remains unaffected. The dependence of displacement speed on strain rate and curvature is found to weaken with increasing turbulent Reynolds number when either Damkhler or Karlovitz number is held constant, but the qualitative nature of the correlation remains unaltered. The implications of turbulent Reynolds number effects in the context of Flame Surface Density (FSD) modelling have also been addressed, with emphasis on the influence of displacement speed on the curvature and propagation terms in the FSD balance equation. © 2011 Nilanjan Chakraborty et al.

Impact response of polyethylene nanocomposites

The quasi-static and dynamic behaviour of Linear Low Density Polyethylene (LLDPE) and two LLDPE nanocomposites were studied. Nanocomposites consisting of LLDPE filled with 1% carbon black and 0.5% nanoclay fillers, by weight, were considered. Under quasi-static tensile loading, an improvement in the energy absorbing capability was achieved by adding 1% carbon black fillers. However, during quasi-static puncture and dynamic impact loading, the advantage provided by the fillers was lost. Thermal softening due to adiabatic heating under high strain rate deformation and difference s in the state of stress are considered as reasons for this reduction. © 2011 Published by Elsevier Ltd.

Dynamic compressive response of composite square honeycombs

Carbon fibre-epoxy composite square honeycombs, and the parent composite material, were tested in quasi-static compression at a strain rate of 10 -3 s -1 and in dynamic compression at strain rates of 10 3-10 4 s -1 using an instrumented Kolsky bar arrangement. Taken together, these tests provide an assessment of the potential of this composite topology for use as a lightweight sandwich core. The honeycombs had two relative densities, 0.12 and 0.24, and two material orientations, ±45° and 0/90° with respect to the prismatic, loading direction of the honeycomb. Honeycomb manufacture was by slotting, assembling and bonding together carbon fibre/epoxy woven plies of composite sheets of 2 × 2 twill weave construction. The peak value of wall stress in the honeycombs was about one third that of the parent material, for all strain rates. An elastic finite element analysis was used to trace the source of this knock-down in strength: a stress concentration exists at the root of the slots and leads to premature failure by microbuckling. Shock-wave effects were evident at impact velocities exceeding 50 ms -1 for the honeycomb of relative density 0.12. This was traced to stubbing of the buckled cell walls against the face of the Kolsky bar. © 2011 Elsevier Ltd. All rights reserved.

Effects of flow geometry and Damkohler number on turbulent premixed flame

DNS of planar turbulent flame and turbulent V-flame has been conducted to investigate turbulence-scalar interaction in relatively practical turbulent combustion. Several turbulence quantities are examined for the understandings of fundamental characteristics of flow field in V-flame. Due to the additional turbulence production by the hot-rod, turbulence does not simply decay in V-flame. Turbulence-scalar interaction, scalar alignments with the principal strain rate in other words, is then clarified. The competition of turbulence and dilatation can be found in the conditional PDF of flame normal alignment. The results suggests that the alignment characteristics in high Da flames are applicable to low Da flames in the region of intense heat release.

Statistics and dynamics of turbulence-flame alignment in premixed combustion

The geometric alignment of turbulent strain-rate structures with premixed flames greatly influences the results of the turbulence-flame interaction. Here, the statistics and dynamics of this alignment are experimentally investigated in turbulent premixed Bunsen flames using high-repetition-rate stereoscopic particle image velocimetry. In all cases, the statistics showed that the most extensive principal strain-rate associated with the turbulence preferentially aligned such that it was more perpendicular than parallel to the flame surface normal direction. The mean turbulence-flame alignment differed between the flames, with the stronger flames (higher laminar flame speed) exhibiting stronger preferential alignment. Furthermore, the preferential alignment was greatest on the reactant side of the mean flame brush. To understand these differences, individual structures of fluid-dynamic strain-rate were tracked through time in a Lagrangian manner (i.e., by following the fluid elements). It was found that the flame surface affected the orientation of the turbulence structures, with the majority of structures rotating as they approached the flame such that their most extensive principal strain-rate was perpendicular to the flame normal. The maximum change in turbulent structure orientation was found to decrease with the strength of the structure, increase with the strength of the flame, and exhibit similar trends when the structure strength and flame strength were represented by a Karlovitz number. The mean change in orientation decreased from the unburnt to burnt side of the flame brush and appears to be influenced by the overall flame shape. © 2011 The Combustion Institute.