相关论文: Quasi-Stable Structures in Equilibrium Dense Bismu…
Atomic structures of Al-Co-Cu decagonal quasicrystals (QCs) are investigated using empirical oscillating pair potentials (EOPP) in molecular dynamic (MD) simulations that we enhance by Monte Carlo (MC) swapping of chemical species and…
A new mesoscopic non-equilibrium thermodynamic approach is developed. The approach is based on the thermodynamic identity associated the first and second law of thermodynamics. In the framework of the approach different internal dissipative…
Liquids are in thermal equilibrium and have a non-zero static structure factor S(Q->0) = [<N^2>-<N>^2]/<N> = rho*k_B*T*Chi_T where rho is the number density, T is the temperature, Q is the scattering vector and Chi_T is the isothermal…
The instability and periodic deformation of bilayer membranes during freezing processes are studied as a function of the difference of the shape energy between the high and the low temperature membrane states. It is shown that there exists…
Our previous molecular dynamic simulation studies of simple two-dimensional (2D) systems \cite{matt_big} suggested that both geometrical defects (localized, large-amplitude deviations from hexagonal ordering) and topological defects…
Classical density-functional theory is employed to study finite-temperature trends in the relative stabilities of one-component quasicrystals interacting via effective metallic pair potentials derived from pseudopotential theory. Comparing…
We report an ab initio molecular dynamics simulation study of several static and dynamic properties of the liquid 3d transition metals. The calculated static structure factors show qualitative agreement with the available experimental data,…
Based on extended free energy of soft-matter quasicrystals and the variation principle on thermodynamic stability, this study reports the results on stability of the first kind of soft-matter quasicrystals. They are dependent only upon the…
We use the Bogoliubov theory of Bose-Einstein condensation to study the properties of dipolar particles (atoms or molecules) confined in a uniform two-dimensional geometry at zero temperature. We find equilibrium solutions to the dipolar…
Anisotropies of Young's modulus E, the shear modulus G, and Poisson's ratio of all 2D symmetry systems are studied. Simple necessary and sufficient conditions on their elastic compliances are derived to identify if any of these crystals are…
The impact of confinement on self-assembly of particles interacting with short-range attraction and long-range repulsion (SALR) potential is studied for thermodynamic states corresponding to local ordering of clusters or layers in the bulk.…
We show using computer simulations and mean field theory that a system of particles in two dimensions, when confined laterally by a pair of parallel hard walls within a quasi one dimensional channel, possesses several anomalous structural…
We numerically explore the pasta structures and properties of low-density nuclear matter without any assumption on the geometry. We observe conventional pasta structures, while a mixture of the pasta structures appears as a metastable state…
In the framework of the relativistic mean field model with Thomas-Fermi approximation, we study the structures of low density nuclear matter in a three-dimensional geometry with reflection symmetry. The numerical accuracy and efficiency are…
Interparticle interactions with multiple length scales play a pivotal role in the formation and stability of quasicrystals. Choosing a minimal set of length scales to stabilize a given quasicrystal is a challenging problem. To address this…
The paper aims at investigating two types of decay structure for linear symmetric hyperbolic systems with non-symmetric relaxation. Precisely, the system is of the type $(p,q)$ if the real part of all eigenvalues admits an upper bound…
We examine the shape of a an isolated, dislocation-free ice crystal when it is in equilibrium with the vapor phase in an isothermal closed environment, as a function of temperature. From our analysis we draw the following conclusions: 1)…
We consider a microscopic model of a polymer blend that is prone to phase separation. Permanent crosslinks are introduced between randomly chosen pairs of monomers, drawn from the Deam-Edwards distribution. Thereby, not only density but…
We use molecular dynamics simulations to study the melting of gold icosahedral clusters of a few thousand atoms. We pay particular attention to the behavior of surface atoms, and to the equilibrium shape of the cluster. We find that…
The bismuth-halide Bi$_4$I$_4$ undergoes a structural transition around $T_P\sim 300$K, which separates a high-temperature $\beta$ phase ($T>T_P$) from a low-temperature $\alpha$ phase ($T<T_P$). $\alpha$ and $\beta$ phases are suggested to…