Related papers: Two-dimensional structure in a generic model of tr…
The pattern development of multiple cracks in extremely anisotropic solids such as bilayer or multilayer two-dimensional (2D) crystals contains rich physics, which, however, remains largely unexplored. We studied crack interaction across…
In search for novel nematic materials, a laterally linked H-shaped liquid crystal dimer have been synthesized and characterized. The distinct feature of the material is a very broad temperature range (about 50 oC) of the nematic phase,…
Differential shrinkage in particulate quasi-brittle materials causes microcracking which reduces durability in these materials by increasing their mass transport properties. A hydro-mechanical three-dimensional periodic network approach was…
Through extensive molecular simulations we determine a phase diagram of attractive, flexible polymer chains in two and three dimensions. A surprisingly rich collection of distinct crystal morphologies appear, which can be finely tuned…
We demonstrate that plastic deformation in solids is associated with a dynamic transition that is reminiscent to the transition from a superconducting to a mixed phase in Type II superconductors. We report analytic calculations, extensive…
Fundamental questions about the role of the quaternary structures are addressed using a statistical mechanics off-lattice model of a dimer protein. The model, in spite of its simplicity, captures key features of the monomer-monomer…
We investigate the pairing and crystalline instabilities of bosonic and fermionic polar molecules confined to a ladder geometry. By means of analytical and quasi-exact numerical techniques, we show that gases of composite molecular dimers…
We investigate the melting behavior of two-dimensional colloidal crystals stabilized by a core-softened potential featuring two competing interaction length scales. Using molecular dynamics simulations, we analyze three polymorphic solid…
We study the antiferromagnetic spin-half Heisenberg ladder in the presence of an additional frustrating rung spin which is motivated and relevant also for the description of real two-dimensional materials such as the two-dimensional trimer…
Crystal and magnetic structures of a series of novel quantum spin trimer system Ca3Cu3xNix(PO4)4 (x=0,1,2) were studied by neutron powder diffraction at the temperatures 1.5-290 K. The composition with one Ni per trimer (x=1) has a…
Previous studies have shown that the interiors of proteins are densely packed, reaching packing fractions that are as large as those found for static packings of individual amino-acid-shaped particles. How can the interiors of proteins take…
We find three distinct phases; a tubular phase, a planar phase, and the spherical phase, in a triangulated fluid surface model. It is also found that these phases are separated by discontinuous transitions. The fluid surface model is…
Using small-angle neutron scattering and liquid integral equation theory, we relate the structure factor of flexible dendrimers of 4th generation to their average shape. The shape is measured as a radial density profile of monomers…
We study the dynamics of a dimer moving on a periodic one-dimensional substrate as a function of the initial kinetic energy at zero temperature. The aim is to describe, in a simplified picture, the microscopic dynamics of diatomic molecules…
Using a version of density-functional theory which combines Onsager approximation and fundamental-measure theory for spatially nonuniform phases, we have studied the phase diagram of freely rotating hard rectangles and hard discorectangles.…
Quantum Monte Carlo simulations were carried out for the system of a magnetic trimer on a metal surface. The magnetic trimer is arranged in two geometric configurations, viz., isosceles and equilateral triangles. The calculated spectral…
We consider multi-chain protein native structures and propose a criterion that determines whether two chains in the system are entangled or not. The criterion is based on the behavior observed by pulling at both temini of each chain…
Melting in two spatial dimensions, as realized in thin films or at interfaces, represents one of the most fascinating phase transitions in nature, but it remains poorly understood. Even for the fundamental hard-disk model, the melting…
Motivated by recent experimental work on FeCrAs, we study the magnetic properties of classical spin models on the hexagonal Fe$_2$P/ZrNiAl structure (space group $P{\bar{6}}2m$). When both transition metal/rare earth sites carry magnetic…
We use molecular dynamics simulations in two dimensions to investigate the possibility that a core-softened potential can reproduce static and dynamic anomalies found experimentally in liquid water: (i) the increase in specific volume upon…