Related papers: Ab-initio force prediction for single molecule for…
A method is presented that allows to combine the effective potential between two nano crystals, the potential of mean force (PMF), as obtained from all-atomistic Molecular Dynamics simulations with perturbation theory. In this way, a…
The restricted optical sum rule and its dependence on the temperature, a superconducting gap and the cutoff energy have been investigated. As known this sum rule depends on the cutoff energy and the relaxation rate even for a homogeneous…
We study the force-induced unfolding of a homopolymer on the three dimensional Sierpinski gasket. The polymer is subject to a contact energy between nearest neighbour sites not consecutive along the chain and to a stretching force. The…
Fluctuations exist in any material object $A$. If $A$ has non-zero temperature $T$, one speaks about thermal fluctuations. If $A$ is at very low $T$, the fluctuations are of quantum origin. Interesting effects appear if two bodies $A$ and…
The Random First Order Transition (RFOT) theory of glasses provides a unified framework for explaining the observed correlations of the kinetic and thermodynamic behaviors of glass-forming liquids having a wide variety of chemical…
Density functional theory has demonstrated remarkable predictive power in calculating magnetic properties at zero temperature. At finite temperatures, thermally excited phonons may affect magnetism. Efficient ab-initio methods to calculate…
The mechanical unfolding of an engineered protein composed of eight domains of Ig27 is investigated by using atomic force microscopy. Exploiting a fluctuation relation, the equilibrium free energy as a function of the molecule elongation is…
Tethered particle motion (TPM) --- the motion of a micro- or nanoparticle tethered to a substrate by a macromolecule --- is a system that has proven extremely useful for its ability to reveal physical features of the tether, because the…
As a model of composite materials, a bundle of many fibers with stochastically distributed breaking thresholds for the individual fibers is considered. The bundle is loaded until complete failure to capture the failure scenario of composite…
Two-length-scale pair potentials arise ubiquitously in condensed matter theory as effective interparticle interactions in molecular, metallic and soft matter systems. The existence of two different bond lengths generated by the shape of…
Composite materials are often stronger than their constituents. We demonstrate this through a spring network model on a square lattice. Two different types of sites (A and B) are distributed randomly on the lattice, representing two…
We describe a method to evaluate electronic forces by Path Integral Monte Carlo (PIMC). Electronic correlations, as well as thermal effects, are included naturally in this method. For fermions, a restricted approach is used to avoid the…
We present a novel statistical mechanics formalism for the theoretical description of the process of protein folding$\leftrightarrow$unfolding transition in water environment. The formalism is based on the construction of the partition…
We investigate the possibilities of distinguishing the mean-field and fluctuation effects on the critical temperature of a trapped Bose gas with repulsive interatomic interactions. Since in a direct measurement of the critical temperature…
In the early stages of running of the CRESST dark matter search using sapphire detectors at very low temperature, an unexpectedly high rate of signal pulses appeared. Their origin was finally traced to fracture events in the sapphire due to…
We review the leading momentum, frequency and temperature dependences of the single particle self-energy and the corresponding term in the entropy of a two dimensional Fermi liquid (FL) with a free particle spectrum. We calculate the…
There has been great interest in applying the results of statistical mechanics to single molecule experiements. Recent work has highlighted so-called non-equilibrium work-energy relations and Fluctuation Theorems which take on an…
In this work we present a molecular dynamics simulation of a FFM experiment. The tip-sample interaction is studied by varying the normal force in the tip and the temperature of the surface. The friction force, cA, at zero load and the…
A model of hybridized bosons and fermions is studied beyond the mean field approximation. The divergent boson self-energy at zero temperature makes the Cooper pairing of fermions impossible.The frequency and momentum dependence of the self-…
We present a new approach to take into account resonance decays in the blast-wave model fits of identified hadron spectra. Thanks to pre-calculated decayed particle spectra, we are able to extract, in a matter of seconds, the multiplicity…