Related papers: Contact-Density Analysis of Lattice Polymer Adsorp…
We study the model of a partially directed flexible or semi-flexible homopolymer on a square lattice, subject to an externally applied force, in a direction either parallel to, or perpendicular to the preferred direction. The polymer is…
The scaling of entanglement entropy is computationally studied in several $1\le d \le 2$ dimensional free fermion systems that are connected by one or more point contacts (PC). For both the $k$-leg Bethe lattice $(d =1)$ and $d=2$…
The distribution of monomers in a coating of grafted and adsorbing polymers is modelled using a grafted staircase polygon in the square lattice. The adsorbing staircase polygon consists of a bottom and a top lattice path (branches) and the…
We present a molecular dynamics study of the contact between a rigid solid with a randomly rough surface and an elastic block with a flat surface. The numerical calculations mainly focus on the contact area and the interfacial separation…
We study the adhesive contact between elastic solids with randomly rough, self affine fractal surfaces. We present molecular dynamics (MD) simulation results for the interfacial stress distribution and the wall-wall separation. We compare…
Few-body physics plays a central role in many branches of physics, such as nuclear physics and atomic physics. Advances in controlling ultra-cold quantum gases provide an ideal testbed for few-body physics theory. In this work, we study…
We study at- and out-of-equilibrium dynamics of a single homopolymer chain at low temperature using molecular dynamics simulations. The main quantities of interest are the average root mean square displacement of the monomers below the…
Polymer chains with hard-core interaction on a two-dimensional lattice are modeled by directed random walks. Two models, one with intersecting walks (IW) and another with non-intersecting walks (NIW) are presented, solved and compared. The…
The friction and adhesion between elastic bodies are strongly influenced by the roughness of the surfaces in contact. Here we develop a multiscale molecular dynamics approach to contact mechanics, which can be used also when the surfaces…
This thesis describes the development of the density matrix embedding theory (DMET) and its applications to lattice strongly correlated electron problems, including a review of DMET theory and algorithms (Ch 2), investigation of finite size…
The adsorption of a single multi-block $AB$-copolymer on a solid planar substrate is investigated by means of computer simulations and scaling analysis. It is shown that the problem can be mapped onto an effective homopolymer adsorption…
In this two part series, we present a contact model able to capture the response of interacting adhesive elastic-perfectly plastic particles under a variety of loadings. In Part I, we focus on elastic through fully-plastic contact with and…
We perform a numerical study of a new microcanonical polymer model on the three dimensional cubic lattice, consisting of ideal chains whose range and number of nearest-neighbor contacts are fixed to given values. Our simulations suggest an…
We study the mechanical contact between a deformable body with a wavy surface and a rigid flat taking into account pressurized fluid trapped in the interface. A finite element model is formulated for a general problem of trapped fluid for…
Among the stationary configurations of the Hamiltonian of a classical O$(n)$ lattice spin model, a class can be identified which is in one-to-one correspondence with all the the configurations of an Ising model defined on the same lattice…
Using molecular dynamics (MD) we study the dependency of the contact mechanics on the sliding speed when an elastic block (cylinder) with a ${\rm cos} (q_0 x)$ surface height profile is sliding in adhesive contact on a rigid flat…
We study the adsorption of ideal random lattice copolymers with correlations in the sequences on homogeneous substrates with two different methods: An analytical solution of the problem based on the constrained annealed approximation…
The surface tension of interacting polymers in a good solvent is calculated theoretically and by computer simulations for a planar wall geometry and for the insertion of a single colloidal hard-sphere. This is achieved for the planar wall…
Molecular dynamics simulations are used to study contact between a rigid, nonadhesive, spherical tip with radius of order 30nm and a flat elastic substrate covered with a fluid monolayer of adsorbed chain molecules. Previous studies of bare…
Polymer networks formed by cross linking flexible polymer chains are ubiquitous in many natural and synthetic soft-matter systems. Current micromechanics models generally do not account for excluded volume interactions except, for instance,…