We deform representative volume elements of amorphous carbon obtained from melt-quenches in molecular dynamics calculations using bond-order and machine learning interatomic potentials. A Drucker-Prager law with a zero-pressure flow stress of $41.2$~GPa and an internal friction coefficient of $0.39$ describes the deviatoric stress during flow as a function of pressure. We identify the mean coordination number as the order parameter describing this flow surface. However, a description of the dynamical relaxation of the quenched samples towards steady-state flow requires an additional order parameter. We suggest an intrinsic strain of the samples as a possible order parameter and present equations for its evolution. Our results provide insights into rehybridization and pressure dependence of friction between coated surfaces as well as routes towards the description of amorphous carbon in macroscale models of deformation.
Uncertainty quantification (UQ) plays a major role in verification and validation of computational engineering models and simulations, and establishes trust in the predictive capability of computational models. In the materials science and engineering context, where the process-structure-property-performance linkage is well known to be the only road mapping from manufacturing to engineering performance, numerous integrated computational materials engineering (ICME) models have been developed across a wide spectrum of length-scales and time-scales to relieve the burden of resource-intensive exp…
The macroscopic elastic-plastic response of a metal polycrystal is analyzed here by homogenizing the response of a representative volume element. With this purpose, the theory developed in Hill(1967)(The essential structure of constitutive laws for metal composites and polycrystals. J. Mech. Phys. Solids, 15, 79-95) is extended so that the structural changes caused by plastic deformation are taken into account. It is found that the type of evolution assigned to the slip systems of a constituent crystal influences significantly the structure of the constitutive system characterizing the overall…
Ceramics are easy to break, and very few generic mechanisms are available for improving their mechanical properties, e.g., the 1975-discovered anti-fracture mechanism is strictly limited to zirconia and hafnia. Here we report a general mechanism for achieving high plasticity through liquefaction of ceramics. We further disclose the general material design strategies to achieve this difficult task through entropy-boosted amorphous ceramics (EBACs), enabling fracture-resistant properties that can withstand severe plastic deformation (e.g., over 95%, deformed to a thickness of a few nanometers) w…
This investigation extends earlier studies of a shear-transformation-zone (STZ) theory of plastic deformation in amorphous solids. My main purpose here is to explore the possibility that the configurational degrees of freedom of such systems fall out of thermodynamic equilibrium with the heat bath during persistent mechanical deformation, and that the resulting state of configurational disorder may be characterized by an effective temperature. The further assumption that the population of STZ's equilibrates with the effective temperature allows the theory to be compared directly with experimen…
This work presents a three-dimensional constitutive model for shape memory alloys considering the TRansformation-Induced Plasticity (TRIP) as well as the Two-Way Shape Memory Effect (TWSME) through a large deformation framework. The presented logarithmic strain based model is able to capture the large strains and rotations exhibited by SMAs under general thermomechanical cycling. By using the martensitic volume fraction, transformation strain, internal stress, and TRIP strain tensors as internal state variables, the model is capable to capture the stress-dependent TRIP generation when SMAs are…
Simulations of the dynamic deformations of metal samples require elastic-plastic constitutive updates of the material behavior to be performed over a small time step between updates, as dictated by the Courant condition. Depending on the deformation conditions, the converged time step becomes short (~$10^{-9} s$ or less). If an implicit constitutive update is applied to this class of simulation, the benefit of the implicit update is negated, and the integration is prohibitively slow. The present work recasts an implicit update algorithm into an explicit form, for which each update step is five…
We use considerations of energy balance and dissipation to derive a self-consistent version of the shear-transformation-zone (STZ) theory of plastic deformation in amorphous solids. The theory is generalized to include arbitrary spatial orientations of STZs. Continuum equations for elasto-plastic material and their energy balance properties are discussed.
Many engineering applications of Shape Memory Alloys (SMAs) involve passing back and forth through phase transformation many times. Repeated phase transformation develops permanent deformations originating from the significant distortion that phase transformation induces at the austenite-martensite interfaces and grain boundaries. This distortion drives dislocation activity resulting in an observable macroscopic Transformation-Induced Plastic (TRIP) deformation, which occurs at effective stress levels much lower than the plastic yield limit of the material. TRIP strains may accumulate up to 20…
We extend our earlier shear-transformation-zone (STZ) theory of amorphous plasticity to include the effects of thermally assisted molecular rearrangements. This version of our theory is a substantial revision and generalization of conventional theories of flow in noncrystalline solids. As in our earlier work, it predicts a dynamic transition between jammed and flowing states at a yield stress. Below that yield stress, it now describes thermally assisted creep. We show that this theory accounts for the experimentally observed strain-rate dependence of the viscosity of metallic glasses, and that…
Recent developments in the theory of amorphous plasticity point to the central role played by the concept of an effective disorder temperature $T_{eff}$. An athermal dynamics for $T_{eff}$ are proposed in the framework of a deformation theory and discussed in light of the recent steady state simulations by Haxton and Liu [Phys. Rev. Lett. {\bf 99}, 195701 (2007)]. The structure of the resulting theory, its parameters and transient dynamics are discussed and compared to available data.
We use the internal-variable, effective-temperature thermodynamics developed in two preceding papers to reformulate the shear-transformation-zone (STZ) theory of amorphous plasticity. As required by the preceding analysis, we make explicit approximations for the energy and entropy of the STZ internal degrees of freedom. We then show that the second law of thermodynamics constrains the STZ transition rates to have an Eyring form as a function of the effective temperature. Finally, we derive an equation of motion for the effective temperature for the case of STZ dynamics.
Shape memory alloys (SMAs) have been intensively investigated as actuators for the past several decades. Due to their high actuation energy density compared to other active materials, their current and potential applications in engineering fields are expanding rapidly. Prior to being used as actuators, SMAs are usually subjected to a training process to stabilize their behavior. During the training process, permanent changes are introduced in the microstructure of the material which results in the generation of internal stresses and a large amount of irrecoverable Transformation Induced Plasti…
An extremal model for the plasticity of amorphous materials is studied in a simple two-dimensional anti-plane geometry. The steady-state is analyzed through numerical simulations. Long-range spatial and temporal correlations in local slip events are shown to develop, leading to non-trivial and highly anisotropic scaling laws. In particular, the plastic strain is shown to statistically concentrate over a region which tends to align perpendicular to the displacement gradient. By construction, the model can be seen as giving rise to a depinning transition, the threshold of which (i.e. the macrosc…
An effective temperature $T_{\rm eff}$ which differs from the bath temperature is believed to play an essential role in the theory of elasto-plasticity of amorphous solids. The definition of a measurable $T_{\rm eff}$ in the literature on sheared solids suffers however from being connected to a fluctuation-dissipation theorem which is correct only in equilibrium. Here we introduce a natural definition of $T_{\rm eff}$ based on measurable structural features without recourse to any questionable assumption. The value of $T_{\rm eff}$ is connected, using theory and scaling concepts, to the flow s…
We use energetic considerations to deduce the form of a previously uncertain coupling term in the shear-transformation-zone (STZ) theory of plastic deformation in amorphous solids. As in the earlier versions of the STZ theory, the onset of steady deformation at a yield stress appears here as an exchange of dynamic stability between jammed and plastically deforming states. We show how an especially simple ``quasilinear'' version of this theory accounts qualitatively for many features of plasticity such as yielding, strain softening, and strain recovery. We also show that this minimal version of…
Gradient structured (GS) metals processed by severe plastic deformation techniques can be designed to achieve simultaneously high strength and high ductility. Significant kinematic hardening is key to their excellent strain hardening capacity which results in a favorable strength-ductility combination. Unfortunately, no constitutive model has been established to simulate and analyze the characteristic kinematic hardening behavior of GS metal to understand the relationship between their microstructure and macroscopic response. In this work, we developed a deformation-mechanismbased strain gradi…
University of California, Irvine（加州大学尔湾分校）；University of California, Santa Barbara（加州大学圣塔芭芭拉分校）；Los Alamos National Laboratory（洛斯阿拉莫斯国家实验室）；Sandia National Laboratories（桑迪亚国家实验室）；Johns Hopkins University（约翰斯·霍普金斯大学）
Developing a macroscopic theory of elasto-plasticity in amorphous solids calls for (i) identifying the relevant macro state-variables and (ii) discriminating the different time-scales which characterize these variables. In current theories it is assumed that the stress reaches its elasto-plastic steady state value on the same time-scale as the configurational variables (be they the configurational energy, configurational entropy or the effective temperature). By examining numerical simulations in two and three dimensions we show that this is generally not the case, the configurational degrees …
A fundamental assumption in our understanding of material rheology is that when microscopic deformations are reversible, the material responds elastically to external loads. Plasticity, i.e. dissipative and irreversible macroscopic changes in a material, is assumed to be the consequence of irreversible microscopic events. Here we show direct evidence for reversible plastic events at the microscopic scale in both experiments and simulations of two-dimensional foam. In the simulations, we demonstrate a link between reversible plastic rearrangement events and pathways in the potential energy land…
Amorphous solids that underwent a strain in one direction such that they responded in a plastic manner `remember' that direction also when relaxed back to a state with zero mean stress. We address the question `what is the order parameter that is responsible for this memory?' and is therefore the reason for the different subsequent responses of the material to strains in different directions. We identify such an order parameter which is readily measurable, we discuss its trajectory along the stress-strain curve, and propose that it and its probability distribution function must form a necessar…
We investigate a minimal model of the plastic deformation of amorphous materials. The material elements are assumed to exhibit ideally plastic behavior (J2 plasticity). Structural disorder is considered in terms of random variations of the local yield stresses. Using a finite element implementation of this simple model, we simulate the plane-strain deformation of long thin rods loaded in tension. The resulting strain patterns are statistically characterized in terms of their spatial correlation functions. Studies of the corresponding surface morphology reveal a non-trivial Hurst exponent of ap…
Most monolithic brittle materials are vulnerable to the failure by cracks because of a lack of intrinsic toughening mechanisms, such as the plasticity in the vicinity of the crack front. As a result, most of the efforts to mitigate the sudden failure of brittle ceramics have been focused on developing the extrinsic toughening mechanisms that hinder crack propagation behind the tip, such as the fiber bridging. In this work, we experimentally demonstrate that the intrinsic toughening arises even in the brittle monolithic ceramic material such as diamond-like carbon (DLC) when its external dimens…
We discuss the plastic behavior of an amorphous matrix reinforced by hard particles. A mesoscopic depinning-like model accounting for Eshelby elastic interactions is implemented. Only the effect of a plastic disorder is considered. Numerical results show a complex size-dependence of the effective flow stress of the amorphous composite. In particular the departure from the mixing law shows opposite trends associated to the competing effects of the matrix and the reinforcing particles respectively. The reinforcing mechanisms and their effects on localization are discussed. Plastic strain is show…
Built on the tenets of rational thermodynamics, this article proposes a theory of strain gradient thermo-visco-plasticity for isotropic polycrystalline materials under high strain rates. The effect of micro-inertia, which arises due to dynamically evolving microstructural defects, is brought to bear on the macro-continuum through a micro-force balance. Constitutive modelling of dissipative micro-stresses incorporates relaxation time parameters to account for the time lags of the dissipative fluxes in attaining a steady state. Augmentation of the micro-force balance with constitutive relations …
Gradient plasticity theory proposed initially by Aifantis and co-workers has proven very useful in problems dealing with material heterogeneity and material instabilities. Although it has been used successfully in many applications by many authors, still some open questions remain unanswered. The modest goal of the present short note is to provide some thoughts on these open questions, providing a new interpretation of the gradient terms leading to a successful interpretation of both extrinsic and intrinsic size effect phenomena.
A constitutive model based on the combination of damage mechanics and plasticity is developed to analyse concrete structures subjected to dynamic loading. The aim is to obtain a model, which requires input parameters with clear physical meanings. The model should describe the important characteristics of concrete subjected to multiaxial and rate-depending loading. This is achieved by combining an effective stress based plasticity model with an isotropic damage model based on plastic and elastic strain measures. The model response in tension, uni-, bi- and tri-axial compression is compared to e…
The understanding of dynamic failure in amorphous materials via the propagation of free boundaries like cracks and voids must go beyond elasticity theory, since plasticity intervenes in a crucial and poorly understood manner near the moving free boundary. In this Letter we focus on failure via a cavitation instability in a radially-symmetric stressed material, set up the free boundary dynamics taking both elasticity and visco-plasticity into account, using the recently proposed athermal Shear Transformation Zone theory. We demonstrate the existence (in amorphous systems) of fast cavitation mod…
We use a continuous mesoscopic model to address the yielding properties of plastic composites, formed by a host material and inclusions with different elastic and/or plastic properties. We investigate the flow properties of the composed material under a uniform externally applied deviatoric stress. We show that due to the heterogeneities induced by the inclusions, a scalar modeling in terms of a single deviatoric strain of the same symmetry than the externally applied deformation gives inaccurate results. A realistic modeling must include all possible shear deformations. Implementing this mode…
A constitutive model based on the combination of damage mechanics and plasticity is developed to analyse the failure of concrete structures. The aim is to obtain a model, which describes the important characteristics of the failure process of concrete subjected to multiaxial loading. This is achieved by combining an effective stress based plasticity model with a damage model based on plastic and elastic strain measures. The model response in tension, uni-, bi- and triaxial compression is compared to experimental results. The model describes well the increase in strength and displacement capaci…
Structural heterogeneity of amorphous solids present difficult challenges that stymie the prediction of plastic events, which are intimately connected to their mechanical behavior. Based on a perturbation analysis of the potential energy landscape, we derive the atomic nonaffinity as an indicator with intrinsic orientation, which quantifies the contribution of an individual atom to the total nonaffine modulus of the system. We find that the atomic nonaffinity can efficiently characterize the locations of the shear transformation zones, with a predicative capacity comparable to the best indicat…
We use the shear transformation zone (STZ) theory of dynamic plasticity to study the necking instability in a two-dimensional strip of amorphous solid. Our Eulerian description of large-scale deformation allows us to follow the instability far into the nonlinear regime. We find a strong rate dependence; the higher the applied strain rate, the further the strip extends before the onset of instability. The material hardens outside the necking region, but the description of plastic flow within the neck is distinctly different from that of conventional time-independent theories of plasticity.
Starting from known kinematic picture for plasticity, we derive a set of dynamical equations describing plastic flow in a Lagrangian formulation. Our derivation is a natural and a straightforward extension of simple fluids, elastic and viscous solids theories. These equations contain the Maxwell model as a special limit. We discuss some results of plasticity which can be described by this set of equations. We exploit the model equations for the simple examples: straining of a slab and a rod. We find that necking manifests always itself (not as a result of instability), except if the very speci…
Purpose: The purpose of this work is to apply a recently proposed constitutive model for mechanically induced martensitic transformations to the prediction of transformation loci. Additionally, this study aims to elucidate if a stress-assisted criterion can account for transformations in the so-called strain-induced regime. Design/methodology/approach: The model is derived by generalising the stress-based criterion of Patel and Cohen (1953), relying on lattice information obtained using the Phenomenological Theory of Martensite Crystallography. Transformation multipliers (cf. plastic multiplie…
In the preceding paper, we developed an athermal shear-transformation-zone (STZ) theory of amorphous plasticity. Here we use this theory in an analysis of numerical simulations of plasticity in amorphous silicon by Demkowicz and Argon (DA). In addition to bulk mechanical properties, those authors observed internal features of their deforming system that challenge our theory in important ways. We propose a quasithermodynamic interpretation of their observations in which the effective disorder temperature, generated by mechanical deformation well below the glass temperature, governs the behavior…
We present a mathematical description of amorphous solid deformation and plasticity by extending the concept of instantaneous normal modes (INMs) to deformed systems, which allows us to retain the effect of strain on the vibrational density of states (VDOS). Starting from the nonaffine lattice dynamics (NALD) description of elasticity and viscoelasticity of glasses, we formulate the linear response theory up to large deformations by considering the strain-dependent tangent modulus at finite values of shear strain. The (nonaffine) tangent shear modulus is computed from the vibrational density o…
A two-dimensional version of the shear-transformation-zone (STZ) theory by Falk and Langer is explored numerically. Two different geometries are used to simulate uniaxial tension experiments where materials are subjected to constant strain rates. In the first setup, a rectangular specimen is given an imperceptible indentation, allowing it to neck at the center. The dynamics are explored systematically by varying both the straining capability of the STZs (epsilon_0) and the external strain rate. Higher values of epsilon_0 increase the plastic flow and result in sharper necks. Decreased values o…
We propose an Eulerian thermodynamically compatible model for ideal plasticity of crystalline solids treated as a material flow through an adjustable crystal lattice space. The model is based on the additive splitting of the velocity gradient into the crystal lattice part and the plastic part. The approach extends a Gibbs-potential-based formulation developed by Rajagopal and Srinivasa for obtaining the response functions for elasto-visco-plastic crystals. The framework makes constitutive assumptions for two scalar functions: the Gibbs potential and the rate of dissipation. The constitutive eq…
We review the recent literature on the simulation of the structure and deformation of amorphous glasses, including oxide and metallic glasses. We consider simulations at different length and time scales. At the nanometer scale, we review studies based on atomistic simulations, with a particular emphasis on the role of the potential energy landscape and of the temperature. At the micrometer scale, we present the different mesoscopic models of amorphous plasticity and show the relation between shear banding and the type of disorder and correlations (e.g. elastic) included in the models. At the m…
A novel general purpose Finite Element framework is presented to study small-scale metal plasticity. A distinct feature of the adopted distortion gradient plasticity formulation, with respect to strain gradient plasticity theories, is the constitutive inclusion of the plastic spin, as proposed by Gurtin (2004) through the prescription of a free energy dependent on Nye's dislocation density tensor. The proposed numerical scheme is developed by following and extending the mathematical principles established by Fleck and Willis (2009). The modeling of thin metallic foils under bending reveals a s…
In this paper is presented a new single crystal plasticity model with yielding accounting for the tetragonal symmetry of molecular energetic crystals. This new tetragonal yield criterion has been developed using representation theorems for anisotropic tensor functions. It is defined for any type of loadings and depends on the characteristics of the tetragonal lattice (c/a ratio). It involves three independent plastic anisotropy parameters that can be expressed analytically in terms of the uniaxial yield stresses along four crystallographic directions. Illustration of the capabilities of this m…
Plastic deformation of crystalline and amorphous matter often involves intermittent local strain burst events. To understand the physical background of the phenomenon a minimal stochastic mesoscopic model was introduced, where microstructural details are represented by a fluctuating local yielding threshold. In the present paper, we propose a method for determining this yield stress distribution by lower scale discrete dislocation dynamics simulations and using a weakest link argument. The success of scale-linking is demonstrated on the stress-strain curves obtained by the resulting mesoscopic…
The microscopic mechanism by which amorphous solids yield plastically under an externally applied stress or deformation has remained elusive in spite of enormous research activity in recent years. Most approaches have attempted to identify atomic-scale structural "defects" or spatio-temporal correlations in the undeformed glass that may trigger plastic instability. In contrast, here we show that the topological defects which correlate with plastic instability can be identified, not in the static structure of the glass, but rather in the nonaffine displacement field under deformation. These dis…
Localization of plastic strain induced by softening can be objectively described by a regularized plasticity model that postulates a dependence of the current yield stress on a nonlocal softening variable defined by a differential (gradient) expression. This paper presents analytical solutions of the one-dimensional localization problem under certain special nonuniform stress distributions. The one-dimensional problem can be interpreted as describing either a tensile bar with variable cross section, or a beam subjected to a nonuniform bending moment. Explicit as well as implicit gradient formu…
Plasticity in soft amorphous materials typically involves collective deformation patterns that emerge upon intense shearing. The microscopic basis of amorphous plasticity has been commonly established through the notion of "Eshelby"-type events, localized abrupt rearrangements that induce flow in the surrounding material via non-local elastic-type interactions. This universal mechanism in flowing disordered solids has been proposed despite their diversity in terms of scales, microscopic constituents, or interactions. However, we argue that the presence of frictional interactions in granular so…
