Structural transformations in porous glasses under mechanical loading. I. Tension

The evolution of porous structure and mechanical properties of binary glasses under tensile loading were examined using molecular dynamics simulations. We consider vitreous systems obtained in the process of phase separation after a rapid isochoric quench of a glass-forming liquid to a temperature below the glass transition. The porous structure in undeformed samples varies from a connected porous network to a random distribution of isolated pores upon increasing average glass density. We find that at small strain, the elastic modulus follows a power-law dependence on the average glass density and the pore size distribution remains nearly the same as in quiescent samples. Upon further loading, the pores become significantly deformed and coalesce into larger voids that leads to formation of system-spanning empty regions associated with breaking of the material.Comment: 27 pages, 13 figure

Coarse Stability and Bifurcation Analysis Using Stochastic Simulators: Kinetic Monte Carlo Examples

We implement a computer-assisted approach that, under appropriate conditions, allows the bifurcation analysis of the coarse dynamic behavior of microscopic simulators without requiring the explicit derivation of closed macroscopic equations for this behavior. The approach is inspired by the so-called time-step per based numerical bifurcation theory. We illustrate the approach through the computation of both stable and unstable coarsely invariant states for Kinetic Monte Carlo models of three simple surface reaction schemes. We quantify the linearized stability of these coarsely invariant states, perform pseudo-arclength continuation, detect coarse limit point and coarse Hopf bifurcations and construct two-parameter bifurcation diagrams.Comment: 26 pages, 5 figure

Structural transformations in porous glasses under mechanical loading. II. Compression

The role of porous structure and glass density in response to compressive deformation of amorphous materials is investigated via molecular dynamics simulations. The disordered, porous structures were prepared by quenching a high-temperature binary mixture below the glass transition into the phase coexistence region. With decreasing average glass density, the pore morphology in quiescent samples varies from a random distribution of compact voids to a porous network embedded in a continuous glass phase. We find that during compressive loading at constant volume, the porous structure is linearly transformed in the elastic regime and the elastic modulus follows a power-law increase as a function of the average glass density. Upon further compression, pores deform significantly and coalesce into large voids leading to formation of domains with nearly homogeneous glass phase, which provides an enhanced resistance to deformation at high strain.Comment: 25 pages, 12 figure

Multiscale analysis of re-entrant production lines: An equation-free approach

The computer-assisted modeling of re-entrant production lines, and, in particular, simulation scalability, is attracting a lot of attention due to the importance of such lines in semiconductor manufacturing. Re-entrant flows lead to competition for processing capacity among the items produced, which significantly impacts their throughput time (TPT). Such production models naturally exhibit two time scales: a short one, characteristic of single items processed through individual machines, and a longer one, characteristic of the response time of the entire factory. Coarse-grained partial differential equations for the spatio-temporal evolution of a "phase density" were obtained through a kinetic theory approach in Armbruster et al. [2]. We take advantage of the time scale separation to directly solve such coarse-grained equations, even when we cannot derive them explicitly, through an equation-free computational approach. Short bursts of appropriately initialized stochastic fine-scale simulation are used to perform coarse projective integration on the phase density. The key step in this process is lifting: the construction of fine-scale, discrete realizations consistent with a given coarse-grained phase density field. We achieve this through computational evaluation of conditional distributions of a "phase velocity" at the limit of large item influxes.Comment: 14 pages, 17 figure

A note on Makeev's conjectures

A counterexample is given for the Knaster-like conjecture of Makeev for functions on $S^2$. Some particular cases of another conjecture of Makeev, on inscribing a quadrangle into a smooth simple closed curve, are solved positively

Definition of thermal resistance of pipe walls of small thickness by thermal flows density change

The provisions basing structural dependence of thermal resistance of materials of pipe walls made of boiler steels in dimensional thickness where effects of bounder jumps of temperatures creating distortions in measurements of heat conductivity factor are shown are presented. The established dependences are explained from positions structural crack formation in undersurface areas

Roughening of ion-eroded surfaces

Recent experimental studies focusing on the morphological properties of surfaces eroded by ion-bombardment report the observation of self-affine fractal surfaces, while others provide evidence about the development of a periodic ripple structure. To explain these discrepancies we derive a stochastic growth equation that describes the evolution of surfaces eroded by ion bombardment. The coefficients appearing in the equation can be calculated explicitly in terms of the physical parameters characterizing the sputtering process. Exploring the connection between the ion-sputtering problem and the Kardar-Parisi-Zhang and Kuramoto-Sivashinsky equations, we find that morphological transitions may take place when experimental parameters, such as the angle of incidence of the incoming ions or their average penetration depth, are varied. Furthermore, the discussed methods allow us to calculate analytically the ion-induced surface diffusion coefficient, that can be compared with experiments. Finally, we use numerical simulations of a one dimensional sputtering model to investigate certain aspects of the ripple formation and roughening.Comment: 20 pages, LaTeX, 5 ps figures, contribution to the 4th CTP Workshop on Statistical Physics "Dynamics of Fluctuating Interfaces and Related Phenomena", Seoul National University, Seoul, Korea, January 27-31, 199