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Heavy-ion collisions at the LHC provide the conditions to investigate regions of quark-gluon plasma that reach higher temperatures and that persist for longer periods of time compared to collisions at the Relativistic Heavy Ion Collider.…
The major chemical feature of an element is the number of electrons available for forming chemical bonds. A doctrine rooted in the atomic shell model states that the atoms will maintain a complete inner shell while interacting with other…
It has been proposed that multifragmentation can be related to the liquid-gas phase transition of nuclear matter. We study the statistical properties of finite nuclear matter near the phase transition with the help of a Lattice Gas Model…
We study long polymer chains in a poor solvent, confined to the space between two parallel hard walls. The walls are energetically neutral and pose only a geometric constraint which changes the properties of the coil-globule (or…
We implement the replica exchange molecular dynamics algorithm to study the interactions of a model peptide (WALP-16) with an explicitly represented DPPC membrane bilayer. We observe the spontaneous, unbiased insertion of WALP-16 into the…
The chemical bonding within the transition-metal carbide materials MAX phase Ti3AlC2 and MXene Ti3C2Tx is investigated by X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) spectroscopies. MAX…
A compact analytical model is developed for the mobile charge density of polar multiple channel field effect transistors. Two dimensional electron and hole gases can be potentially induced by spontaneous and piezoelectric polarization in…
Two roads are presently being followed in order to establish the existence of a liquid-gas phase transition in finite nuclear systems from nuclear reactions at high energy. The clean experiment of observing the thermodynamic properties of a…
We have investigated the potential energy surface for neutral and charged alanine and glycine chains consisting of up to 6 amino acids. For these molecules we have calculated potential energy surfaces as a function of the Ramachandran…
We investigate exciton bound-state formation and crystallization effects in two-dimensional electron-hole bilayers. Performing unbiased path integral Monte Carlo simulations all quantum and Coulomb correlation effects are treated on first…
A polarizable force-field (FF) model for short- and long-alkane chains and amide derivatives was constructed based solely on accurate quantum chemical (QC) calculations. First, the FF model accuracy was accessed by performing molecular…
The liquid-gas phase transition in finite nuclei is studied in a heated liquid-drop model where the drop is assumed to be in thermodynamic equilibrium with the vapour emanated from it. Changing pressure along the liquid-gas coexistence line…
A system with equal number of positive and negative charges confined in a box with a small but finite thickness is modeled as a function of temperature using mesoscale numerical simulations, for various values of the charges. The Coulomb…
The liquid-gas phase transition and associated instability in two component systems are investigated using a mean field theory. The importance of the role of both the Coulomb force and symmetry energy terms are studied. The addition of the…
We propose the use of microcanonical analyses for numerical studies of peptide aggregation transitions. Performing multicanonical Monte Carlo simulations of a simple hydrophobic-polar continuum model for interacting heteropolymers of finite…
The Ising lattice gas, with its well known equilibrium properties, displays a number of surprising phenomena when driven into non-equilibrium steady states. We study such a model with anisotropic interparticle interactions ($J_{\Vert }\neq…
Functionalization and volatilization are competing reactions during the oxidation of carbonaceous materials and are important processes in many different areas of science and technology. Here we present a combined ambient pressure X-ray…
We report the experimental study of the structural transition of a stable complex plasma crystal to a solid-liquid phase coexistence by the controlled adjustment of the confinement potential, while keeping all other parameters constant. The…
We study the effects of weak point and columnar disorder on the vortex-lattice phase transitions in high temperature superconductors. The combined effect of thermal fluctuations and of quenched disorder is investigated using a simplified…
We present the results of analytic calculations and numerical simulations of the behaviour of a new class of chain molecules which we call thick polymers. The concept of the thickness of such a polymer, viewed as a tube, is encapsulated by…