Related papers: A Theoretical Study on Crystallization of Polyethy…
A two-dimensional dust crystal levitated in the sheath of a modified Gaseous Electronics Conference (GEC) reference cell is manipulated by heating or cooling the lower electrode. The dust charge is obtained from top-view pictures of the…
In this paper, we have studied polystyrene (PS) and polyethylene (PE) stiffness by 3-dimensional Langevin Molecular Dynamics simulation. Hard polymers have a very small bending, and thus, their end-to-end distance is more than soft…
Polymer blends offer an exciting material for various potential applications due to their tunable properties by varying constituting components and their relative composition. Our simulation results unravel an intrinsic relationship between…
Polymer glasses have numerous advantageous mechanical properties in comparison to other materials. One of the most useful is the high degree of toughness that can be achieved due to significant yield occurring in the material. Remarkably,…
Methods for calculating an electron density of a periodic crystal constructed using non-orthogonal localised orbitals are discussed. We demonstrate that an existing method based on the matrix expansion of the inverse of the overlap matrix…
We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…
We reformulate the theory of polycrystalline plasticity, in externally driven, nonequilibrium situations, by writing equations of motion for the flow of energy and entropy associated with dislocations. Within this general framework, and…
A novel technique to measure potential profiles in a plasma based on the visualization of charged tracer dust particles is reported. The method is used to experimentally determine the potential around a grounded wire that is mounted on the…
Two-dimensional mixtures of dipolar colloidal particles with different dipole moments exhibit extremely rich self-assembly behaviour and are relevant to a wide range of experimental systems, including charged and super-paramagnetic colloids…
The present contribution focuses on the thermodynamically consistent mechanical modeling of the strain-induced crystallization in unfilled polymers. This phenomenon is of particular importance for the mechanical properties of polymers as…
We present experimental wear data for polymethyl methacrylate (PMMA) sliding on tile, sandpaper, and polished steel surfaces, as well as for soda-lime, borosilicate, and quartz glass sliding on sandpaper. The results are compared with a…
The screening of an individual low-dimensional object can be strongly influenced by the objects nearby. We propose that such environment's influence can be absorbed into an effective polarizability, instead of its intrinsic polarizability.…
Porous polymer films of Poly(ethylene oxide)(PEO) are synthesized by solution casting technique using gamma irradiated: (a) PEO powder (S-series) and (b) PEO - methanol solution (L-series). Pore phase forms instantaneously during…
A methodology for calculating the contribution of charged defects to the configurational free energy of an ionic crystal is introduced. The temperature-independent Wang-Landau Monte Carlo technique is applied to a simple model of a solid…
The advances in new technologies have prompted the need for functional systems smaller than the gyration radius of polymer chains. Thus, understanding how nanoconfinement affects polymer properties has been the focus of a lot of research…
Plutonium dihydride and trihydride show strikingly similar crystal structures when viewed as close-packed Pu planes with ABC and AB stacking, respectively. The similarity serves as a framework for density functional theory (DFT)…
Many physical properties of small organic molecules are dependent on the current crystal packing, or polymorph, of the material, including bioavailability of pharmaceuticals, optical properties of dyes, and charge transport properties of…
A `polydisperse' system has an infinite number of conserved densities. We give a rational procedure for projecting its infinite-dimensional free energy surface onto a subspace comprising a finite number of linear combinations of densities…
In this paper I describe the computer simulations that I have performed to critically examine the Lauritzen-Hoffman and the Sadler-Gilmer theories of polymer crystallization. In particular, I have computed the free energy profile for…
The test particle approach is a widely used method for studying the dynamics of charged particles in complex electromagnetic fields and has been successful in explaining particle energization in turbulent plasmas. However, this approach is…