Related papers: Allosteric Communication Pathways and Thermal Rect…
Recent experiments at the nanoscales confirm that thermal rectifiers, the thermal equivalent of electrical diodes, can operate in the quantum regime. We present a thorough investigation of the effect of different particle exchange…
Statistical thermodynamics basis of energy and residue position fluctuations is explained for native proteins. The protein and its surroundings are treated as a canonical system with emphasis on the effects of energy exchange between the…
We study ballistic interfacial thermal transport across atomic junctions. Exact expressions for phonon transmission coefficients are derived for thermal transport in one-junction and two-junction chains, and verified by numerical…
Phase modulation has scarcely been mentioned in diffusive systems since the diffusion process does not carry momentum like waves. Recently, the non-Hermitian physics provides a new perspective for understanding diffusion and shows prospects…
We provide molecular dynamics simulation of heat transport and thermal energy diffusion in one-dimensional molecular chains with different interparticle pair potentials at zero and non-zero temperature. We model the thermal conductivity…
Inspired by some recent molecular dynamics (MD) simulations and experiments on suspended graphene nanoribbons, we study a simplified model where the atoms are disposed in a rectangular lattice coupled by nearest neighbor interactions which…
Hydrodynamic fluidity in condensed matter physics has been experimentally demonstrated only in a limited number of compounds due to the stringent conditions that must be met. Herein, we performed thermal and electrical transport experiments…
The characteristics of the hydro-thermal flow which occurs when a cold fluid is injected into a hot fractured bedrock depend on the morphology of the fracture. We consider a sharp triangular asperity, invariant in one direction, perturbing…
The packing of elastic sheets is investigated in a quasi two-dimensional experimental setup: a sheet is pulled through a rigid hole acting as a container, so that its configuration is mostly prescribed by the cross-section of the sheet in…
PDZ domains are typical examples of binding motifs mediating the formation of protein-protein assemblies in many different cells. A quantitative characterization of the mechanisms intertwining structure, chemistry and dynamics with the PDZ…
Molecular dynamics simulations are performed to study the temperature-dependent dynamics and structures of the hydration shells of elastin-like and collagen-like peptides. For both model peptides, it is consistently observed that, upon…
Allosteric regulation at distant sites is central to many cellular processes. In particular, allosteric sites in proteins are a major target to increase the range and selectivity of new drugs, and there is a need for methods capable of…
Asymmetric patchy particle models have recently been shown to describe the crystallization of small globular proteins with near quantitative accuracy. Here, we investigate how asymmetry in patch geometry and bond energy generally impact the…
This paper is devoted to the derivation of a macroscopic fractional diffusion equation describing heat transport in an anharmonic chain. More precisely, we study here the so-called FPU-$\beta$ chain, which is a very simple model for a…
The heat transfer characteristics of thin film flow over a hot sphere resulting from a cold vertical jet of liquid falling onto the surface has been investigated. The underlying physical features have been illustrated by numerical solutions…
Atomistic computer simulations are applied to investigate the atomic structure, thermal stability, and diffusion processes in Al-Si interphase boundaries as a prototype of metal-ceramic interfaces in composite materials. Some of the most…
Translation-invariant low-dimensional systems are known to exhibit anomalous heat transport. However, there are systems, such as the coupled-rotor chain, where translation invariance is satisfied, yet transport remains diffusive. It has…
Protein crystal production is a major bottleneck for the structural characterisation of proteins. To advance beyond large-scale screening, rational strategies for protein crystallization are crucial. Understanding how chemical anisotropy…
Many signalling functions in molecular biology require proteins bind to substrates such as DNA in response to environmental signals such as the simultaneous binding to a small molecule. Examples are repressor proteins which may transmit…
It is well known that magnetic fields constrain motions of charged particles, impeding the diffusion of charged particles perpendicular to magnetic field direction. This modification of transport processes is of vital importance for a wide…