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A binary mixture of particles interacting with spherically-symmetric potentials leading to microsegregation is studied by theory and molecular dynamics (MD) simulations. We consider spherical particles with equal diameters and volume…
A stochastic discrete slip approach is proposed to model plastic deformation in submicron domains. The model is applied to the study of submicron pillar ($D~\leq~1\mu m$) compression experiments on tungsten (W), a prototypical metal for…
When ultrathin metal films are subjected to multiple cycles of rapid melting and resolidification by a ns pulsed laser, spatially correlated interfacial nanostructures can result from a competition among several possible thin film…
Experimental observations of heteroepitaxial growth of Ge on Si(001) show a (2xn) reconstruction for sub-monolayer coverages, with dimer rows crossed by missing-dimer trenches. We present first-principles density-functional calculations…
Results for pseudogaps are obtained from a band model, where the stability of the gap depends on the amplitudes of vibrational displacements, or magnetic moments, and their coupling to electrons. A one-particle gap is favored by normal…
This work deals with an investigation of general principles of superplasticity (SP) in deformed materials. It is shown that a non-linear, wave plastic deformation is the basic process for all plastic deformation phenomena, it makes an…
The spin dynamics of stripes in high-temperature superconductors and related compounds is studied in the framework of a spin-wave theory for a simple spin-only model. The magnon dispersion relation and the magnetic structure factor are…
Protein folding, peptide aggregation and crystallization, as well as adsorption of molecules on soft or solid substrates have an essential feature in common: In all these processes, structure formation is guided by a collective, cooperative…
We propose a computationally lean, two-stage approach that reliably predicts self-assembly behavior of complex charged molecules on a metallic surfaces under electrochemical conditions. Stage one uses ab initio simulations to provide…
We investigate the rheology, microscopic structure, and dynamics of an industrially relevant dispersion made of cationic surfactant vesicles, from dilute to concentrated conditions. We find that these suspensions exhibit a shear-thinning…
Using Monte Carlo techniques, we study a simple model which exhibits a competition between superconductivity and other types of order in two dimensions. The model is a site-diluted XY model, in which the XY spins are mobile, and also…
Domain walls in magnetic multilayered systems can exhibit a very complex and fascinating behavior. For example, the magnetization of thin films of hard magnetic materials is in general perpendicular to the thin-film plane, thanks to the…
We demonstrate that graphs embedded on surfaces are a powerful and practical tool to generate, characterize and simulate networks with a broad range of properties. Remarkably, the study of topologically embedded graphs is non-restrictive…
We study the interaction among dispersion, nonlinearity, and disorder effects in the context of wave transmission through a discrete periodic structure, subjected to continuous harmonic excitation in its stop band. We consider a damped…
Constant pressure Monte Carlo simulations of a coarse grained off-lattice model for monolayers of amphiphilic molecules at the air/water interface are presented. Our study focusses on phase transitions within a monolayer rather than on self…
Disclinations, first observed in mesomorphic phases, are relevant to a number of ill-ordered condensed matter media, with continuous symmetries or frustrated order. They also appear in polycrystals at the edges of grain boundaries. They are…
The discrete modeling of a large class of mechanical structures can be based on a stick-and-spring concept. We here present a stick-and-spring theory with potential application to the statics and the dynamics of such nanostructures as…
The parent compounds of the recently discovered iron-arsenic (pnictide) high temperature superconductors transition into an intriguing spin density wave (SDW) phase at low temperatures. Progress in understanding this SDW state has been…
While macroscopic properties of spin glasses have been thoroughly investigated, their manifestation in the corresponding microscopic configurations is much less understood. Cases where both descriptions have been provided, such as…
Both the differential tunneling conductance and the surface local density of states (LDOS) of a [110]-oriented high-temperature superconductor in the pseudogap (PG) regime are studied theoretically. As a competing candidate for the…