Related papers: Molecular Traffic Control in Porous Nanoparticles
We study the low-temperature behavior and the phase transition of a thin film by Monte Carlo simulation. The thin film has a simple cubic lattice structure where each site is occupied by a Potts parameter which indicates the molecular…
Monte Carlo statistical ray-tracing methods are commonly employed to simulate carrier transport in nanostructured materials. In the case of a large degree of nanostructuring and under linear response (small driving fields), these…
We reveal the visible influence of the ultra-small concentrations (1 wt.% or less) of the BaTiO3 nanoparticles (average size 24 nm) on the current-voltage characteristics and capacitance of the dielectric liquid crystal (LC) 5CB. The pure…
Molecular dynamics simulations yield large amounts of trajectory data. For their durable storage and accessibility an efficient compression algorithm is paramount. State of the art domain-specific algorithms combine quantization, Huffman…
The slow microstructural evolution of materials often plays a key role in determining material properties. When the unit steps of the evolution process are slow, direct simulation approaches such as molecular dynamics become prohibitive and…
The stationary states of systems with many molecular motors are studied theoretically for uniaxial and centered (aster-like) arrangements of cytoskeletal filaments using Monte Carlo simulations and a two-state model. Mutual exclusion of…
Dynamic properties of molecular motors whose motion is powered by interactions with specific lattice bonds are studied theoretically with the help of discrete-state stochastic "burnt-bridge" models. Molecular motors are depicted as random…
We consider Monte Carlo algorithms for the simulation of charged lattice gases with purely local dynamics. We study the mobility of particles as a function of temperature and show that the poor mobility of particles at low temperatures is…
Cooperative driving, enabled by Vehicle-to-Everything (V2X) communication, is expected to significantly contribute to the transportation system's safety and efficiency. Cooperative Adaptive Cruise Control (CACC), a major cooperative driving…
We present an implicit statistical model for the steric effect on the potential of mean force (PMF) of a molecule diffusing through a flexible nanochannel of varying size. The average cross sectional area profile of the channel and the…
Electron transfer (ET) across molecular chains including an impurity is studied based on a recently improved real-time path integral Monte Carlo (PIMC) approach [J. Chem. Phys. {\bf 121}, 12696 (2004)]. The reduced electronic dynamics is…
Markov state models (MSMs) are a powerful tool to analyze and coarse-grain complex dynamical data into interpretable kinetic processes. This capability is particularly important in heterogeneous catalysis, where a medley of reactants and…
The possibility to guide and control magnetic nanoparticles in a non-invasive manner has spawned various applications in biotechnology such as targeted drug delivery and sensing of biological substances. These applications are facilitated…
The effective way of energy transmission plays a key factor in improving the overall transmission systems efficiency. Many methods are proposed to control the reactive power flow, voltage fluctuations and power factor improvement, The…
Magnetotransport properties of granular oxide-segregated CoPtCr films were studied on both macroscopic and microscopic length scales by performing bulk and point-contact magnetoresistance measurements, respectively. Such a perpendicular…
The change in contact angles due to the injection of low salinity water or any other wettability altering agent in an oil-rich porous medium is modeled by a network model of disordered pores transporting two immiscible fluids. We introduce…
Short nanopores have various applications in biosensing, desalination, and energy conversion. Here, the modulation of charged exterior surfaces on ionic transport is investigated through simulations with sub-200 nm long nanopores under…
Vascular adhesion of circulating tumor cells (CTCs) is a key step in cancer spreading. If inflammation is recognized to favor the formation of vascular metastatic niches, little is known about the contribution of blood rheology to CTC…
We describe collective-move Monte Carlo algorithms designed to approximate the overdamped dynamics of self-assembling nanoscale components equipped with strong, short-ranged and anisotropic interactions. Conventional Monte Carlo simulations…
This paper analyzes the effective capacity of delay constrained machine type communication (MTC) networks operating in the finite blocklength regime. First, we derive a closed-form mathematical approximation for the effective capacity in…