相关论文: Reactive interatomic potentials and their geometri…
The interface of two solids in contact introduces a thermal boundary resistance (TBR), which is challenging to measure from experiments. Besides, if the interface is reactive, it can form an intermediate recrystallized or amorphous region,…
Using results from colloid science we derive interaction potentials for computer simulations of mixtures of soft or hard ellipsoids of arbitrary shape and size. Our results are in many respects reminicent of potentials of the Gay-Berne type…
We introduce and analyze several low-dimensional scattering systems that exhibit geometric phase phenomena. The systems are fully solvable and we compare exact solutions of them with those obtained in a Born-Oppenheimer projection…
Metasurfaces, with their superior capability in manipulating the optical wavefront at the subwavelength scale and low manufacturing complexity, have shown great potential for planar photonics and novel optical devices. However, vector field…
Molecular dynamics simulations using empirical force fields (EFFs) are crucial for gaining fundamental insights into atomic structure and long timescale dynamics of Au nanoclusters with far-reaching applications in energy and devices. This…
Dipolar interactions govern the structure and dynamics of many soft-matter systems, from molecular to colloids assemblies. When dipole moments are induced by an external field, mutual interactions lead to a many-body magnetization response…
Relativistic and non-relativistic modern nucleon-nucleon potentials are mapped on a relativistic operator basis using projection techniques. This allows to compare the various potentials at the level of covariant amplitudes were a…
The dynamical equations of an electromagnetic field coupled with a conducting material are studied. The properties of the interaction are described by a classical field theory with tensorial material laws in space-time geometry. We show…
We consider the realization of N=2 superconformal models in terms of free first-order $(b,c,\beta,\gamma)$-systems, and show that an arbitrary Landau-Ginzburg interaction with quasi-homogeneous potential can be introduced without spoiling…
The phase diagram of the attractive Hubbard model with spatially inhomogeneous interactions is obtained using a single site dynamical mean field theory like approach. The model is characterized by three parameters: the interaction strength,…
We classify the interactions between self-propelled particles moving at a constant speed from symmetry considerations. We establish a systematic expansion for the two-body forces in the spirit of a multipolar expansion. This formulation…
Realizing systems that support robust, controlled interactions between individual photons is an exciting frontier of nonlinear optics. To this end, one approach that has emerged recently is to leverage atomic interactions to create strong…
A site-site interaction model is proposed for water in two-dimension, as an alternative to the traditional Mercedes-Benz model. In MB model, water molecules are modeled as 2-dimensional Lennard-Jones disks with three hydrogen bonding arms…
We show that a simple correlated wave function, obtained by applying a Jastrow correlation term to an Antisymmetrized Geminal Power (AGP), based upon singlet pairs between electrons, is particularly suited for describing the electronic…
The formalism of two coupled Dirac equations within constraint instant form dynamics is used to study the nucleon-nucleon interaction. The salient features and the final Schroedinger type equation is given. Explicitly energy dependent…
Particles bound to an interface interact because they deform its shape. The stresses that result are fully encoded in the geometry and described by a divergence-free surface stress tensor. This stress tensor can be used to express the force…
A new concept for the geometrisation of electromagnetic interaction is proposed. Instead of the concept "extended field--point sources", interacting Maxwell's and Dirac's fields are considered as a unified closed noneuclidean and…
This thesis introduces a framework that is able to describe general many-body coarse-grained interactions. We make use of this to describe the free energy surface as a cluster expansion in terms of monomer, dimer, and trimer terms. The…
A simple one-dimensional gas-piston kinetic model gives the interaction potential between two colliding heavy ions. In the frame of the classical, thermodynamical approach, the colliding heavy ions are not submitted to friction, but…
The calculation of interatomic magnetic exchange interactions entering the Heisenberg model from the standpoint of the density functional theory (DFT) is outlined for two Fe-based molecular magnets: a trinuclear complex with a Schiff base…