Covering the solid lattice with a finite-element mesh produces a coarse-grained system of mesh nodes as pseudoatoms interacting through an effective potential energy that depends implicitly on the thermodynamic state. Use of the pseudoatomic Hamiltonian in a Monte Carlo simulation of the two-dimensional Lennard-Jones crystal yields equilibrium thermomechanical properties (e.g., isotropic stress...

Magnesium lignosulfonate and kraft lignin were activated by different oxidizing agents for use in phenolic resin composites used for the production of abrasive components. The physicochemical properties of the oxidized materials were analyzed by Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), dynamic mechanical-thermal analysis (DMTA) and inverse gas chro...

The authors studied the anomalous behaviors of vitreous silica under the combined influence of high temperature and pressure, by using molecular dynamics simulations based on a charge-transfer three-body potential. Accordingly, anomalous properties, such as the minimum in the bulk modulus at 2–3 GPa and the negative thermal expansion while under pressure, are inherently connected to the ability...

The product and process parameters that determine successful freeze-drying are described and their interrelationships are explored. It is shown that the thermochemical and thermomechanical properties of water-soluble, amorphous materials form the basis of effective formulation design and that coordinated approaches to formulation and process development achieve optimum results with a minimum of...

The purpose of this work is to present a study of the thermomechanical behavior of the automotive disc brake during the braking phase. The first analysis is performed on the disc-pad model without the presence of thermal properties. Structural performance of the disc-pad model such as deformation and Von-Mises stress is predicted. The case of thermoelasticity on the same model with the inclusio...

Due to thermomechanical hysteresis in solids undergoing martensitic type of structure transformations the macroscopic strain and volume fraction of martensite are not a single-valued function of stress and temperature, but they become functions of the process of their change. Some of the phenomenological approaches describing ma~n thermomechanical properties of shape-memory alloys (SMA) connect...

Ni-Mn-Ga is a ferromagnetic shape memory alloy that deforms by twin boundary motion. The magneto-mechanical properties depend strongly on the twin microstructure. A thermomechanical treatment was applied to a Ni-Mn-Ga single crystal with coexisting 10M and 14M martensite structures to create twin boundaries and align the short crystallographic c direction preferentially perpendicular to the sur...

We use numerical simulations to compute the equation of state of a suspension of spherical self-propelled nanoparticles in two and three dimensions. We study in detail the effect of excluded volume interactions and confinement as a function of the system's temperature, concentration, and strength of the propulsion. We find a striking nonmonotonic dependence of the pressure on the temperature an...

1-Behenyl-2-lauryl-sn-glycero-3-phosphocholine (22/12 PC) belongs to a unique group of phospholipids in which the molecule has one acyl chain almost twice as long as the other. The temperature-composition phase diagram for this lipid in the range of 25-65 degrees C, and 0 to 84.3% (w/w) water has been constructed by using the isoplethal method in the heating direction and x-ray diffraction for ...