Related papers: A method for calculating solvation structure on a …
Recent advances in machine learning and their applications have lead to the development of diverse structure-property relationship models for crucial chemical properties, and the solvation free energy is one of them. Here, we introduce a…
The logarithmic slope of the diffractive structure function is a potential observable scanning the hard and soft contributions in diffraction, allowing to disentangle the QCD dynamics. We report our calculations concerning this quantity, in…
We present polynomial force reconstruction from experimental intermodulation atomic force microscopy (ImAFM) data. We study the tip-surface force during a slow surface approach and compare the results with amplitude-dependence force…
The friction force observed at macroscale is the result of interactions at various lower length scales that are difficult to model in a combined manner. For this reason, simplified approaches are required, depending on the specific aspect…
A crystal lattice, when confined to the surface of a cylinder, must have a periodic structure that is commensurate with the cylinder circumference. This constraint can frustrate the system, leading to oblique crystal lattices or to…
We derive a Kinetic Monte Carlo model for studying how contacts form between confined surfaces in an ideal solution. The model incorporates repulsive and attractive surface-surface forces between a periodic (2+1)-dimensional solid-on-solid…
Discharge structure refers to the morphology of different plasma quantities, such as electron temperature, reaction rate, plasma potential, mass flux, net charge and species density, which are determined by plasma transport mechanism and…
This work explores the lift force experienced by a particle moving in a viscous fluid near a liquid-liquid interface. The lift force is induced by the interaction between the viscous flow generated by the particle's motion and the…
We report a development of a new fast surface-based method for numerical calculations of solvation energy of biomolecules with a large number of charged groups. The procedure scales linearly with the system size both in time and memory…
Entangled polymers are deformed by a strong shear flow. The shape of the polymer, called the form factor, is measured by small angle neutron scattering. However, the real-space molecular structure is not directly available from the…
Acid solutions exhibit a variety of complex structural and dynamical features arising from the presence of multiple interacting reactive proton defects and counterions. However, disentangling the transient structural motifs of proton…
We experimentally determine the force exerted by a bath of active particles onto a passive probe as a function of its distance to a wall and compare it to the measured averaged density distribution of active particles around the probe.…
The immersed boundary method is a mathematical formulation and numerical method for solving fluid-structure interaction problems. For many biological problems, such as models that include the cell membrane, the immersed structure is a…
Numerous cell types relate to their immediate environment by exerting a three-dimensional pressure field on their environment, with components both longitudinal and transverse to the cell membrane. This pressure field can in principle be…
We suggest simple model of image formation in atomic force microscope (AFM) taking into account contact deformations of probe and sample during scanning. The model explains the possibility of AFM visualization of regular atomic or molecular…
Confined fluids display complex behavior due to layering and local packing. Here, we disentangle these effects by confining a hard-sphere fluid to the surface of a cylinder, such the circumference extends only over a few particle diameters.…
Drawing inspiration from the lateral lines of fish, the inference of flow characteristics via surface-based data has drawn considerable attention. The current approaches often rely on analytical methods tailored exclusively for potential…
The effective solid liquid interfacial tension (SL IFT) between pure liquids and rough solid surfaces is studied through coarse grained simulations. Using the dissipative particle dynamics method, we design solid liquid interfaces,…
The Lifshitz theory provides a method to calculate the Casimir force between two flat plates if the frequency dependent dielectric function of the plates is known. In reality any plate is rough and its optical properties are known only to…
A two-dimensional \underline{Frenkel-Kontorova model} under a steady external force is used to study the nonlinear sliding friction between flat macroscopic surfaces with a lubricant layer in between. The nonequilibrium properties of the…