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In frameworks of scaling theory of phase transitions and critical phenomena the structure of melt-crystallized polymers is discussed. The model constructed follows drawing polymeric materials and dissipating the energy during the transition…
We develop a theory of the effective disorder temperature in glass-forming materials driven away from thermodynamic equilibrium by external forces. Our basic premise is that the slow configurational degrees of freedom of such materials are…
The ability to design and fabricate materials with tailored mechanical properties, combined with immunity to damage, is a frontier of materials engineering. For example, materials which are characterized by elastic properties that depend on…
We investigate the dependence of the hardness of materials on their elastic stiffness. This is possible by constructing a series of model potentials of the Morse type; starting on modelling natural Cu, the model potential exhibit an…
Interfacial energy dissipation during stick-slip motion of a liquid drop on a non-conductive polymer substrate is shown to lead to an irreversible increase in electrical charge. This previously unobserved phenomenon occurs during surface…
We investigate the rate-dependent fracture of vitrimers by conducting a tear test. Based on the relationship between the frac-ture energy and the thickness of vitrimer films, we, for the first time, obtain the intrinsic fracture energy and…
The equation of state of $SU(3)$ Yang-Mills theory is investigated in the framework of a moving reference frame. Results for the entropy density, the pressure, the energy density, and the trace anomaly are presented for temperatures ranging…
Quantum complexity measures the difficulty of realizing a quantum process, such as preparing a state or implementing a unitary. We present an approach to quantifying the thermodynamic resources required to implement a process if the…
The metallurgy and materials communities have long known and exploited fundamental links between chemical and structural ordering in metallic solids and their mechanical properties. The highest reported strength achievable through the…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…
We study the response of granular materials to external stress using experiment, simulation, and theory. We derive an entropic, Ginzburg-Landau functional that enforces mechanical stability and positivity of contact forces. In this…
For the first time primary hot isotope distributions are experimentally reconstructed in intermediate heavy ion collisions and used with antisymmetrized molecular dynamics (AMD) calculations to determine density, temperature and symmetry…
Repeated/cyclic shearing can drive amorphous solids to a steady-state encoding a memory of the applied strain amplitude. However, recent experiments find that the effect of such memory formation on the mechanical properties of the bulk…
We generalize stochastic thermodynamics to include information reservoirs. Such information reservoirs, which can be modeled as a sequence of bits, modify the second law. For example, work extraction from a system in contact with a single…
Landauer's principle, often regarded as the foundation of the thermodynamics of information processing, holds that any logically irreversible manipulation of information, such as the erasure of a bit or the merging of two computation paths,…
We perform thorough molecular-dynamics simulations to compare elasticity and yielding of atomic crystals and model semicrystalline polymers, the latter characterized by very similar positional ordering with respect to atomic crystals and…
The third law of thermodynamics dictates that the entropy of materials becomes zero as temperature ($T$) approaches zero. Contrarily, glass and other similar materials exhibit nonzero entropy at $T=0$, which contradicts the third law. For…
We focus on the probability distribution function (pdf) $P(\Delta \gamma; \gamma)$ where $\Delta \gamma$ are the {\em measured} strain intervals between plastic events in an athermal strained amorphous solids, and $\gamma$ measures the…
A general self-learning metabasin escape (SLME) algorithm~\citep{caoPRE2012} is coupled in this work with continuous shear deformations to probe the yield stress as a function of strain rate and temperature for a binary Lennard-Jones (LJ)…
The thermodynamic theory of dislocation-enabled plasticity is based on two unconventional hypotheses. The first of these is that a system of dislocations, driven by external forces and irreversibly exchanging heat with its environment, must…