Related papers: Analytical Interaction Potential for Lennard-Jones…
Colloidal systems observed in video microscopy are often analysed using the displacements correlation matrix of particle positions. In non-thermal systems, the inverse of this matrix can be interpreted as a pair-interaction potential…
Flow forming involves complicated tooling/workpiece interactions. Purely analytical models of the tool contact area are difficult to formulate, resulting in numerical approaches that are case-specific. Provided are the details of an…
The finite-size Tomonaga-Luttinger Hamiltonian with an arbitrary potential is mapped onto a non-interacting Fermi gas with renormalized potential. This is done by means of flow equations for Hamiltonians and is valid for small…
Molecular dynamics simulation is used for studying the contact angle of nanoscale sessile drops on a planar solid wall in a system interacting via the truncated and shifted Lennard-Jones potential. The entire range between total wetting and…
We consider linear arrays of cells of volume $V_\mathrm{c}$ populated by monodisperse rods of size $\sigma V_\mathrm{c}$, $\sigma=1,2,\ldots$, subject to hardcore exclusion interaction. Each rod experiences a position-dependent external…
We apply a recently developed optimization scheme to obtain effective potentials for alkali and alkaline-earth aluminosilicate glasses that contains lithium, sodium, potassium, or calcium as modifiers. As input data for the optimization, we…
Synthetic active matter systems, such as active colloids, often have complex interactions, which can be of hydrodynamic, chemical or electrostatic origin and cannot be computed from first principles. Here, we use Stochastic Force Inference…
We present a method utilizing atomic diffraction patterns and statistical analysis tools to infer the Casimir-Polder interaction between Argon atoms and a silicon nitride nanograting. The quantum model that supports the data is investigated…
Ligand coated nanoparticles are complex objects consisting of a metallic or semiconductor core with organic ligands grafted on their surface. These organic ligands provide stability to a nanoparticle suspension. In solutions, the effective…
We present a density functional study of Lennard-Jones liquids in contact with a nano-corrugated wall. The corresponding substrate potential is taken to exhibit a repulsive hard core and a van der Waals attraction. The corrugation is…
Realistic fluid-solid interaction potentials are essential in description of confined fluids especially in the case of geometric heterogeneous surfaces. Correlated random field is considered as a model of random surface with high geometric…
Driven by novel approaches and computational techniques, second-principles atomic potentials are nowadays at the forefront of computational materials science, enabling large-scale simulations of material properties with…
The theory of elastic interaction of micron size axially symmetric colloidal particles immersed into confined nematic liquid crystal has been proposed. General formulas are obtained for the self energy of one colloidal particle and…
The structural properties of fluids whose molecules interact via potentials with a hard-core plus n piece-wise constant sections of different widths and heights are derived using a (semi-analytical) rational-function approximation method.…
A key challenge for soft materials design and coarse-graining simulations is determining interaction potentials between components that give rise to desired condensed-phase structures. In theory, the Ornstein-Zernike equation provides an…
We calculate analytically the forces between two solvophobic solutes, considering a model system. We show that the effective interaction forces between two solvophobic solutes, mediated by the solvent, is attractive for short ranges, which…
We develop a bonded-particle model for magneto-elastic rods that unifies large deformations, contact, and long-range magnetic interactions within a single discrete-element framework. The rod is discretized into orientable particles…
The microscopic structure of several amorphous substances often reveals complex patterns such as medium- or long-range order, spatial heterogeneity, and even local polycrystallinity. To capture all these features, models usually incorporate…
A simple Lennard-Jones fluid confined in a slit nanopore with hard walls is studied on the basis of a multilayer structured model. Each layer is homogeneous and parallel to the walls of the pore. The Helmholtz energy of this system is…
The dynamical correlations of a model consisting of particles constrained on the line and interacting with a nearest--neighbour Lennard--Jones potential are computed by molecular--dynamics simulations. A drastic qualitative change of the…