Plastic deformations in crystal, polycrystal, and glass in binary mixtures under shear: Collective yielding

Using molecular dynamics simulation, we examine the dynamics of crystal, polycrystal, and glass in a Lennard-Jones binary mixture composed of small and large particles in two dimensions. The crossovers occur among these states as the composition c is varied at fixed size ratio. Shear is applied to a system of 9000 particles in contact with moving boundary layers composed of 1800 particles. The particle configurations are visualized with a sixfold orientation angle alpha_j(t) and a disorder variable D_j(t) defined for particle j, where the latter represents the deviation from hexagonal order. Fundamental plastic elements are classified into dislocation gliding and grain boundary sliding. At any c, large-scale yielding events occur on the acoustic time scale. Moreover, they multiply occur in narrow fragile areas, forming shear bands. The dynamics of plastic flow is highly hierarchical with a wide range of time scales for slow shearing. We also clarify the relationship between the shear stress averaged in the bulk region and the wall stress applied at the boundaries.Comment: 17 pages, 15 figures, to appear in Physical Review

Dynamics of Viscoplastic Deformation in Amorphous Solids

We propose a dynamical theory of low-temperature shear deformation in amorphous solids. Our analysis is based on molecular-dynamics simulations of a two-dimensional, two-component noncrystalline system. These numerical simulations reveal behavior typical of metallic glasses and other viscoplastic materials, specifically, reversible elastic deformation at small applied stresses, irreversible plastic deformation at larger stresses, a stress threshold above which unbounded plastic flow occurs, and a strong dependence of the state of the system on the history of past deformations. Microscopic observations suggest that a dynamically complete description of the macroscopic state of this deforming body requires specifying, in addition to stress and strain, certain average features of a population of two-state shear transformation zones. Our introduction of these new state variables into the constitutive equations for this system is an extension of earlier models of creep in metallic glasses. In the treatment presented here, we specialize to temperatures far below the glass transition, and postulate that irreversible motions are governed by local entropic fluctuations in the volumes of the transformation zones. In most respects, our theory is in good quantitative agreement with the rich variety of phenomena seen in the simulations.Comment: 16 pages, 9 figure

Boundary lubrication with a glassy interface

Recently introduced constitutive equations for the rheology of dense, disordered materials are investigated in the context of stick-slip experiments in boundary lubrication. The model is based on a generalization of the shear transformation zone (STZ) theory, in which plastic deformation is represented by a population of mesoscopic regions which may undergo non affine deformations in response to stress. The generalization we study phenomenologically incorporates the effects of aging and glassy relaxation. Under experimental conditions associated with typical transitions from stick-slip to steady sliding and stop start tests, these effects can be dominant, although the full STZ description is necessary to account for more complex, chaotic transitions

Nucleation and Bulk Crystallization in Binary Phase Field Theory

We present a phase field theory for binary crystal nucleation. In the one-component limit, quantitative agreement is achieved with computer simulations (Lennard-Jones system) and experiments (ice-water system) using model parameters evaluated from the free energy and thickness of the interface. The critical undercoolings predicted for Cu-Ni alloys accord with the measurements, and indicate homogeneous nucleation. The Kolmogorov exponents deduced for dendritic solidification and for "soft-impingement" of particles via diffusion fields are consistent with experiment.Comment: 4 pages, 4 figures, accepted to PR

Early Metabolic Flare in Squamous Cell Carcinoma after Chemotherapy is a Marker of Treatment Sensitivity In Vitro

PURPOSE: Early metabolic response with a decrease in glucose demand after cytotoxic treatment has been reported to precede tumor volume shrinkage. However, preclinical studies report of a very early rise in metabolism, a flare, following treatment. To elucidate these observations, we performed an experimental study on early metabolic response with sequential analysis of metabolic changes. METHODS: Three squamous cell carcinoma cell lines and one nontumorigenic cell line were exposed to cisplatin. The uptake of the fluorescent glucose analogue 2-NBDG was examined at days 1-6 using fluorescence microscopy. The relation between 2-NBDG-uptake and cell survival was evaluated. RESULTS: The tumor cells exhibited a high uptake of 2-NBDG, whereas the uptake in the nonmalignant cells was low. The more cisplatin sensitive cell lines exhibited a more pronounced metabolic flare than the less sensitive cell line. CONCLUSION: A metabolic flare was a very early sign of treatment response and potentially it could be used as an early marker of treatment sensitivity

Plastic Flow in Two-Dimensional Solids

A time-dependent Ginzburg-Landau model of plastic deformation in two-dimensional solids is presented. The fundamental dynamic variables are the displacement field \bi u and the lattice velocity {\bi v}=\p {\bi u}/\p t. Damping is assumed to arise from the shear viscosity in the momentum equation. The elastic energy density is a periodic function of the shear and tetragonal strains, which enables formation of slips at large strains. In this work we neglect defects such as vacancies, interstitials, or grain boundaries. The simplest slip consists of two edge dislocations with opposite Burgers vectors. The formation energy of a slip is minimized if its orientation is parallel or perpendicular to the flow in simple shear deformation and if it makes angles of $\pm \pi/4$ with respect to the stretched direction in uniaxial stretching. High-density dislocations produced in plastic flow do not disappear even if the flow is stopped. Thus large applied strains give rise to metastable, structurally disordered states. We divide the elastic energy into an elastic part due to affine deformation and a defect part. The latter represents degree of disorder and is nearly constant in plastic flow under cyclic straining.Comment: 16pages, Figures can be obtained at http://stat.scphys.kyoto-u.ac.jp/index-e.htm

Maize Field Study Reveals Covaried Microbiota and Metabolic Changes in Roots over Plant Growth

Plant roots are colonized by microorganisms from the surrounding soil that belong to different kingdoms and form a multikingdom microbial community called the root microbiota. Despite their importance for plant growth, the relationship between soil management, the root microbiota, and plant performance remains unknown. Here, we characterize the maize root-associated bacterial, fungal, and oomycetal communities during the vegetative and reproductive growth stages of four maize inbred lines and the pht1;6 phosphate transporter mutant. These plants were grown in two long-term experimental fields under four contrasting soil managements, including phosphate-deficient and -sufficient conditions. We showed that the maize root-associated microbiota is influenced by soil management and changes during host growth stages. We identified stable bacterial and fungal root-associated taxa that persist throughout the host life cycle. These taxa were accompanied by dynamic members that covary with changes in root metabolites. We observed an inverse stable-to-dynamic ratio between root-associated bacterial and fungal communities. We also found a host footprint on the soil biota, characterized by a convergence between soil, rhizosphere, and root bacterial communities during reproductive maize growth. Our study reveals the spatiotemporal dynamics of the maize root-associated microbiota and suggests that the fungal assemblage is less responsive to changes in root metabolites than the bacterial community

Intra-molecular coupling as a mechanism for a liquid-liquid phase transition

We study a model for water with a tunable intra-molecular interaction $J_\sigma$, using mean field theory and off-lattice Monte Carlo simulations. For all $J_\sigma\geq 0$, the model displays a temperature of maximum density.For a finite intra-molecular interaction $J_\sigma > 0$,our calculations support the presence of a liquid-liquid phase transition with a possible liquid-liquid critical point for water, likely pre-empted by inevitable freezing. For J=0 the liquid-liquid critical point disappears at T=0.Comment: 8 pages, 4 figure