Related papers: Modeling Single Molecule Junction Mechanics as a P…
The realization of molecular-based electronic devices depends to a large extent on the ability to mechanically stabilize the involved molecular bonds, while making use of efficient resonant charge transport through the device. Resonant…
Several families of one-point interactions are derived from the system consisting of two and three $\delta$-potentials which are regularized by piecewise constant functions. In physical terms such an approximating system represents two or…
Establishment of phase-coherence and a non-dissipative (super)current between two weakly coupled superconductors, known as the Josephson effect, plays a foundational role in basic physics and applications to metrology, precision sensing,…
We report the first concurrent determination of conductance (G) and thermopower (S) of single-molecule junctions via direct measurement of electrical and thermoelectric currents using a scanning tunneling microscope-based break-junction…
The vibrational dynamics of adsorbate molecules in single-molecule junctions depend critically on the geometric structure and electronic interactions between molecule and substrate. Vibrations, excited mechanochemically or by external…
Based on the helical and rotational symmetries and Tersoff-Brenner potential with couple of modified parameters, we investigate the variation of bond length/lengths in equilibrium structure due to tube length as well as due to applied…
The statistical-mechanical study of the equilibrium properties of fluids, starting from the knowledge of the interparticle interaction potential, is essential to understand the role that microscopic interaction between individual particles…
An improved linear model is developed for elasto-plastic and adhesive contact. New correlations are proposed and validated to estimate the key input parameters of the model, including contact stiffness, yield point, maximum pull-off force…
Time-resolved single-molecule biophysical experiments yield data that contain a wealth of dynamic information, in addition to the equilibrium distributions derived from histograms of the time series. In typical force spectroscopic setups…
The structural properties of confined single-file hard-disk fluids are studied analytically by means of a mapping of the original system onto a one-dimensional mixture of non-additive hard rods, the mapping being exact in the polydisperse…
We consider reversible breaking of adhesion bonds or folding of proteins under the influence of a constant external force. We discuss the stochastic properties of the unbinding/rebinding events and analyze their mean number and their…
Computer simulation studies on the miscibility behavior and single chain properties in binary polymer blends are reviewed. We consider blends of various architectures in order to identify important architectural parameters on a coarse…
It is common to study polymer physics through the use of idealized single-chain models, and the most popular of these is the freely jointed chain model. In certain thermodynamic ensembles, statistical mechanical treatment of this model is…
We study theoretically dynamics in a Josephson junction coupled to a mechanical resonator looking at the signatures of the resonance in d.c. electrical response of the junction. Such a system can be realized experimentally as a suspended…
A hierarchical froth model of the interface of a random $q$-state Potts ferromagnet in $2D$ is studied by recursive methods. A fraction $p$ of the nearest neighbour bonds is made inaccessible to domain walls by infinitely strong…
Numerous laboratory experiments have demonstrated the dependence of the friction coefficient on the interfacial slip rate and the contact history, a behavior generically called rate and state friction. Although numerical models have been…
We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away…
Contact mechanics-based models for the friction of nominally flat rough surfaces have not been able to adequately capture certain key experimentally observed phenomenona, such as the transition from a static friction peak to a lower level…
Interfaces play critical roles in materials, and are usually both structurally and compositionally complex microstructural features. The precise characterization of their nature in three-dimensions at the atomic-scale is one of the grand…
We study a particular class of relativistic nuclear energy density functionals in which only nucleon degrees of freedom are explicitly used in the construction of effective interaction terms. Short-distance (high-momentum) correlations, as…