2D Quasi-Static Accurate Solutions for Isotropic Thermoelastic Materials with Applications

Thermally induced stress is an important scientific problem in engineering applications. In this paper, an accurate and efficient method for the two-dimensional quasi-static thermal elastic problem is established to explore the thermal stress problem. First, the compact quasi-static two-dimensional general solution is derived in terms of simple potential functions. The general solution is simple in form and can be derived for arbitrary boundary problems subjected to a line heat load. This is completely new to the literature. Second, Green’s function solutions of an infinite plane under the line pulse heat source based on the general solutions are presented to analyze the thermal stress field. Lastly, numerical results are taken into account to study the temperature and stress field induced by the dynamic heat source load. The corresponding analysis can constitute to reveal the mechanism of thermal elastic problems and provide some guidance for experiments or engineering structural design in the future work.

Towards Electrochemical Water Desalination Techniques: A Review on Capacitive Deionization, Membrane Capacitive Deionization and Flow Capacitive Deionization

Electrochemical water desalination has been a major research area since the 1960s with the development of capacitive deionization technique. For the latter, its modus operandi lies in temporary salt ion adsorption when a simple potential difference (1.0–1.4 V) of about 1.2 V is supplied to the system to temporarily create an electric field that drives the ions to their different polarized poles and subsequently desorb these solvated ions when potential is switched off. Capacitive deionization targets/extracts the solutes instead of the solvent and thus consumes less energy and is highly effective for brackish water. This paper reviews Capacitive Deionization (mechanism of operation, sustainability, optimization processes, and shortcomings) with extension to its counterparts (Membrane Capacitive Deionization and Flow Capacitive Deionization).

An Energy-Based Interaction Model for Population Opinion Dynamics with Topic Coupling

We introduce a new, and quite general variational model for opinion dynamics based on pairwise interaction potentials and a range of opinion evolution protocols ranging from random interactions to global synchronous flows in the opinion state space. The model supports the concept of topic “coupling”, allowing opinions held by individuals to be changed via indirect interaction with others on different subjects. Interaction topology is governed by a graph that determines interactions. Our model, which is really a family of variational models, has, as special cases, many of the previously established models for the opinion dynamics. After introducing the model, we study the dynamics of the special case in which the potential is either a tent function or a constructed bell-like curve. We find that even in these relatively simple potential function examples there emerges interesting behavior. We also present results of preliminary numerical explorations of the behavior of the model to motivate questions that can be explored analytically

Fragment-Based Ligand-Protein Contact Statistics: Application to Docking Simulations

In this work, the information contained in the contacts between fragments of small-molecule ligands and protein residues has been collected and its exploitability has been verified by using the scoring of docking simulations as a test case for bringing about a proof of concept. Contact statistics between small-molecule fragments and binding site residues were collected and analyzed using a dataset composed of 200,000+ binding sites and associated ligands, derived from the database of the LIBRA ligand binding site recognition software, as a starting point. The fragments were generated by applying the decomposition algorithm implemented in BRICS. A simple “potential” based on the contact frequencies was tested against the CASF-2013 benchmark; its performance was then evaluated through the rescoring of docking poses generated for the DUD-E dataset. The results obtained indicate that this approach, its simplicity notwithstanding, yields promising results that are comparable, and in some cases, superior, to those obtained with other, more complex scoring functions.

An energy-based interaction model for population opinion dynamics with topic coupling

We introduce a new, and quite general variational model for opinion dynamics based on pairwise interaction potentials and a range of opinion evolution protocols ranging from random interactions to global synchronous flows in the opinion state space. The model supports the concept of topic “coupling”, allowing opinions held by individuals to be changed via indirect interaction with others on different subjects. Interaction topology is governed by a graph that determines interactions. Our model, which is really a family of variational models, has, as special cases, many of the previously established models for the opinion dynamics. After introducing the model, we study the dynamics of the special case in which the potential is either a tent function or a constructed bell-like curve. We find that even in these relatively simple potential function examples there emerges interesting behavior. We also present results of preliminary numerical explorations of the behavior of the model to motivate questions that can be explored analytically.

Dependence of B(E2) and B(M1) transition strengths on energy and spin of excited states of 18F

The dependence of reduced transition probabilities corresponding to electric quadrupole [B(E2)] and magnetic dipole [B(M1)] transition occurring in [Formula: see text]F nucleus on excitation energy and spin parity of the states involved in the transition has been investigated within the framework of simple potential model based on M3Y interaction. It is found that B(E2) increases with increasing excitation energy irrespective of the spin of excited states while B(M1) is very sensitive to the spin of the excited states and is independent of excitation energy.

Preformation probability of two-proton emitters

Within the cluster-core model picture using the preformed cluster model, proton rich, 2-proton emitting nuclei are studied. The experimentally established [Formula: see text]Fe, [Formula: see text]Ni, [Formula: see text]Zn and [Formula: see text]Kr are investigated in terms of simple potential energy surfaces for all possible cluster plus core configurations of the 2-proton emitting nuclei. The calculated potential energy surfaces reveal a strong minimum for 2-proton-cluster plus core configuration. In addition, the calculations are carried out for the theoretically studied 2-proton emitters such as [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text], and [Formula: see text], which also reveal 2-proton cluster plus core configuration as the favorable one possessing strong minimum in the potential energy surface. Furthermore, the calculated potential energies are used to calculate the preformation probability by solving the stationary Schrödinger equation of motion in mass asymmetry coordinate. The formation yield also clearly reveals a larger formation probability for the 2-proton cluster plus core configuration for all the nuclei studied. The Q-value systematic of 1-proton, 2-proton, 4-proton and 4He is also analyzed.

Highly crystalline PtCu nanotubes with three dimensional molecular accessible and restructured surface for efficient catalysis

We reveal a highly active and durable class of electrocatalysts with connected single-crystalline nanoparticles, forming an open architecture. The MOR activity could be recovered to the initial value or even betterviasimple potential cycling after durability test.