Related papers: Surface single-molecule dynamics controlled by ent…
Many-body phenomena are ubiquitous in solids, as electrons interact with one another and the many excitations arising from lattice, magnetic, and electronic degrees of freedom. These interactions can subtly influence the electronic…
Traditionally, phase transitions are defined in the thermodynamic limit only. We discuss how phase transitions of first order (with phase separation and surface tension), continuous transitions and (multi)-critical points can be seen and…
Predicting transport from equilibrium structure is a challenging problem in liquid state physics. Here we probe a glass forming liquid composed of self-propelled "active" particles and show that increasing the duration of self-propulsion…
Over the past decade, extensive research into single-atom catalysts (SACs) has revealed that the catalytic behavior of metal adatoms is highly dependent on how they interact with their support. A strong dependence on the local coordination…
We analyze the effect of temperature on the yielding transition of amorphous solids using different coarse-grained model approaches. On one hand we use an elasto-plastic model, with temperature introduced in the form of an Arrhenius…
Ceramic samples, produced by conventional sintering method in ambient air, 6H-SrMnO$_3$(6H-SMO), 15R-BaMnO$_3$(15R-BMO), 4H-Ba$_{0.5}$Sr$_{0.5}$MnO$_3$(4H-BSMO) were studied. In the XRD measurements for SMO the new anomalies of the lattice…
Thermodynamic phase transitions, a central concept in physics and chemistry, are typically controlled by an interplay of enthalpic and entropic contributions. In most cases, the estimation of the enthalpy in simulations is straightforward…
Transitions in atoms and molecules provide an ideal test ground for constraining or detecting a possible variation of the fundamental constants of nature. In this Perspective, we review molecular species that are of specific interest in the…
Understanding molecular state evolution is central to many disciplines, including molecular dynamics, precision measurement, and molecule-based quantum technology. Details of the evolution are obscured when observing a statistical ensemble…
We investigate many body localization in the presence of a single particle mobility edge. By considering an interacting deterministic model with an incommensurate potential in one dimension we find that the single particle mobility edge in…
Irradiation with high-energy particles has recently emerged as an effective tool for tailoring the properties of two-dimensional transition metal dichalcogenides. In order to carry out an atomically-precise manipulation of the lattice, a…
Entropy, its production, and its change in a dynamical system can be understood from either a fully stochastic dynamic description or from a deterministic dynamics exhibiting chaotic behavior. By taking the former approach based on the…
We extend the orbital-dependent electron tunneling model implemented within the three-dimensional (3D) Wentzel-Kramers-Brillouin (WKB) atom-superposition approach for simulating scanning tunneling microscopy (STM) by including arbitrary tip…
Quantum mechanical phenomena, such as electronic coherence and entanglement, play a key role in achieving the unrivalled efficiencies of light-energy conversion in natural photosynthetic light-harvesting complexes, and triggered the growing…
During a crossover via a switching mechanism from one 2-body potential to another as might be applied in modeling (chemical) reactions in the vicinity of bond formation, energy violations would occur due to finite step size which determines…
We consider the effect of droplet excitations in the random first order transition theory of glasses on the configurational entropy. The contribution of these excitations is estimated both at and above the ideal glass transition…
To test a Partial Equilibration Scenario (PES) of Ritort and colleagues, we do Monte Carlo simulations of discretized-strain spin models, for four 3D martensitic structural transitions under quenches to a bath temperature $T <T_0$ below a…
We describe how we can precisely measure variations in the entropy S of small solid samples below room temperature, as a function the temperature T or the external magnetic field H, respectively. A simple differential-thermal analysis (DTA)…
Single molecule mechanical unfolding experiments are beginning to provide profiles of the complex energy landscape of biomolecules. In order to obtain reliable estimates of the energy landscape characteristics it is necessary to combine the…
Progress in miniaturized technology allows us to control physical systems at nanoscale with remarkable precision. Experimental advancements have sparked interest in control problems in stochastic thermodynamics, typically concerning a…