A New Calibration Method for Piezoelectric Testing System Based on Orthogonal Calibration Method

The accuracy of piezoelectric test system has a direct influence on the accuracy of the vector force detection. Piezoelectric sensor parameters are obtained by calibration system calibrated through orthogonal calibration method. Accuracy of the application of field test lacks the corresponding theoretical basis, resulting in test system test accuracy is questioned. In this paper, piezoelectric force test system is used as the research object. In order to verify accuracy of piezoelectric test system through calibration of orthogonal calibration method, a variable angle deflection loading device was designed. An incremental calibration method for thrust test is put forward by applying vector force at different angles. Based on vector force coordinate transformation matrix, a deflection load test and analysis model are established. The vector force coordinates transformation matrix is used to calculate the experimental data obtained from the deviation angle test system, and the deviation of the vector force value is obtained. Finally, the accuracy, effectiveness and rationality of piezoelectric test system through the orthogonal calibration method are verified.

Multiscale modeling of solvation in chemical and biological nanosystems and in nanoporous materials

Statistical–mechanical, 3D-RISM-KH molecular theory of solvation (3D reference interaction site model with the Kovalenko–Hirata closure) is promising as an essential part of multiscale methodology for chemical and biomolecular nanosystems in solution. 3D-RISM-KH explains the molecular mechanisms of self-assembly and conformational stability of synthetic organic rosette nanotubes (RNTs), aggregation of prion proteins and β-sheet amyloid oligomers, protein-ligand binding, and function-related solvation properties of complexes as large as the Gloeobacter violaceus pentameric ligand-gated ion channel (GLIC) and GroEL/ES chaperone. Molecular mechanics/Poisson–Boltzmann (generalized Born) surface area [MM/PB(GB)SA] post-processing of molecular dynamics (MD) trajectories involving SA empirical nonpolar terms is replaced with MM/3D-RISM-KH statistical–mechanical evaluation of the solvation thermodynamics. 3D-RISM-KH has been coupled with multiple time-step (MTS) MD of the solute biomolecule driven by effective solvation forces, which are obtained analytically by converging the 3D-RISM-KH integral equations at outer time-steps and are calculated in between by using solvation force coordinate extrapolation (SFCE) in the subspace of previous solutions to 3D-RISM-KH. The procedure is stabilized by the optimized isokinetic Nosé–Hoover (OIN) chain thermostatting, which enables gigantic outer time-steps up to picoseconds to accurately calculate equilibrium properties. The multiscale OIN/SFCE/3D-RISM-KH algorithm is implemented in the Amber package and illustrated on a fully flexible model of alanine dipeptide in aqueous solution, exhibiting the computational rate of solvent sampling 20 times faster than standard MD with explicit solvent. Further substantial acceleration can be achieved with 3D-RISM-KH efficiently sampling essential events with rare statistics such as exchange and localization of solvent, ions, and ligands at binding sites and pockets of the biomolecule. 3D-RISM-KH was coupled with ab initio complete active space self-consistent field (CASSCF) and orbital-free embedding (OFE) Kohn–Sham (KS) density functional theory (DFT) quantum chemistry methods in an SCF description of electronic structure, optimized geometry, and chemical reactions in solution. The (OFE)KS-DFT/3D-RISM-KH multi-scale method is implemented in the Amsterdam Density Functional (ADF) package and extensively validated against experiment for solvation thermochemistry, photochemistry, conformational equilibria, and activation barriers of various nanosystems in solvents and ionic liquids (ILs). Finally, the replica RISM-KH-VM molecular theory for the solvation structure, thermodynamics, and electrochemistry of electrolyte solutions sorbed in nanoporous materials reveals the molecular mechanisms of sorption and supercapacitance in nanoporous carbon electrodes, which is drastically different from a planar electrical double layer.

On the Thermal Effects in the Design of Tilting-Pad Bearings Subjected to Inlet Pressure Build-Up

The presented analytical consideration of tilting-pad bearings incorporates simultaneously the changes in viscosity (due to viscous dissipation) and in the nonambient inlet pressure (due to momentum depletion within the fore-region). The solution provides the following quantities: film temperature distributions, pressure distribution, maximum temperature of the pad, load capacity, friction force, coordinate of the center of pressure, and coordinate of the pivot point. Comparison with the case when the inlet pressure is assumed to be ambient indicates the significance of the pressure build-up in the fore-region.