Finite Size Effect in Path Integral Monte Carlo Simulations of ~4He Systems

Path integral Monte Carlo （PIMC） simulations are a powerful computational method to study interacting quantum systems at finite temperatures. In this work, PIMC has been applied to study the finite size effect of the simulated systems of ^4He. We determine the energy as a function of temperature at saturated-vapor-pressure （SVP） conditions in the temperature range of T ∈ [1.0 K,4.0 K], and the equation of state （EOS） in the grmmd state For systems consisted of 32, 64 and 128 ^4He atoms, respectively, We find that the energy at SVP is influenced significantly by the size of the simulated system in the temperature range of T ∈ [2.1 K, 3.0 K] and the larger the system is, the better results are obtained in comparison with the experimental values; while the EOS appeared to be unrelated to it.

Simulation on Domain Rotation Path and Magnetostriction of Terfenol-D Alloy

Based on a simplified domain rotation model, the rotation path of internal domains and cor- responding magnetostriction of <112>, <111> oriented single Tedenol-D crystals under com- pressive prestresses have been simulated. Comparisons with results of experiment and other calculation have been made. Results of simulation showed that the <111> oriented single crystal has better low-field magnetostriction properties than the <112> oriented one. Under a compressive prestress of 10 MPa, up to 2300×10-6 saturation magnetostriction of <111> oriented crystal has been obtained at 800 Oe, while for <112> oriented. 1600×10-6 maximum magnetostriction has been reached at 1000 Oe.

Optimizing loading path and die linetype of large length-to-diameter ratio metal stator screw lining hydroforming

In order to meet the high temperature environment requirement of deep and superdeep well exploitation, a technology of large length-to-diameter ratio metal stator screw lining meshing with rotor is presented. Based on the elastic-plasticity theory, and under the consideration of the effect of tube size, material mechanical parameters, friction coefficient and loading paths, the external pressure plastic forming mechanical model of metal stator screw lining is established, to study the optimal loading path of metal stator lining tube hydroforming process. The results show that wall thickness reduction of the external pressure tube hydroforming(THF) is about 4%, and three evaluation criteria of metal stator screw lining forming quality are presented: fillet stick mold coefficient, thickness relative error and forming quality coefficient. The smaller the three criteria are, the better the forming quality is.Each indicator has a trend of increase with the loading rate reducing, and the adjustment laws of die arc transition zone equidistance profile curve are acquired for improving tube forming quality. Hence, the research results prove the feasibility of external pressure THF used for processing high-accuracy large length-to-diameter ratio metal stator screw lining, and provide theoretical basis for designing new kind of stator structure which has better performance and longer service life.

Comparison between Google Earth KML Data and RTK Data on a Flight Planning Simulated to the Unmanned Aerial Vehicle Microdrone MD4-1000

The UAVs （unmanned aerial vehicles） and the use of graphical data files of extension KML （keyhole markup language） have become popular nowadays. The KML files are associated to the Google Earth applications. Developed by Microdrone company for planning, overflight simulation and data flight analysis, the program mdCockpit was used in this experiment. The UAV Microdrone＇s flight path was programmed in two ways： using geo referenced images from Google Earth and entering points coordinates into the program. These points have had their geographical decimal coordinates collected by GPS （global positioning system） （RTK （real time kinematic）） method. The aim here is to describe a way of evaluating the difference between the alternatives of flight planning. A flight path, defined a route with 22 points, was also simulated in the program mdCockpit. The points were collected and saved, while the images captured by the program went automatically forming a georeferenced mosaic. A comparison between the differences of coordinates to each point was made by choosing on the images and also by a RTK positioning. The result was up to 14.20 m to a 100 m flight height. There is a significant change of position and this can result in unwanted over flights in locations or even jeopardizing the safety of air activity.

Correlated squared returns

Joint densities for a sequential pair of returns with weak autocorrelation and strong correlation in squared returns are formulated.The marginal return densities are either variance gamma or bilateral gamma.Two-dimensional matching of empirical characteristic functions to its theoretical counterpart is employed for dependency parameter estimation.Estimations are reported for 3920 daily return sequences of one thousand days.Path simulation is done using conditional distribution functions.The paths display levels of squared return correlation and decay rates for the squared return autocorrelation function that are comparable to these magnitudes in daily return data.Regressions of log characteristic functions at different time points are used to estimate time scaling coefficients.Regressions of these time scaling coefficients on squared return correlations support the view that autocorrelation in squared returns slows the rate of passage of economic time.An analysis of financial markets for 2020 in comparison with 2019 displays a post-COVID slowdown in financial markets.

Computation of kinetic isotope effects for enzymatic reactions

We describe a computational approach,incorporating quantum mechanics into enzyme kinetics modeling with a special emphasis on computation of kinetic isotope effects.Two aspects are highlighted:(1) the potential energy surface is represented by a combined quantum mechanical and molecular mechanical(QM/MM) potential in which the bond forming and breaking processes are modeled by electronic structure theory,and(2) a free energy perturbation method in path integral simulation is used to determine both kinetic isotope effects(KIEs).In this approach,which is called the PI-FEP/UM method,a light(heavy) isotope is mutated into a heavy(light) counterpart in centroid path integral simulations.The method is illustrated in the study of primary and secondary KIEs in two enzyme systems.In the case of nitroalkane oxidase,the enzymatic reaction exhibits enhanced quantum tunneling over that of the uncatalyzed process in water.In the dopa delarboxylase reaction,there appears to be distinguishable primary carbon-13 and secondary deuterium KIEs when the internal proton tautomerism is in the N-protonated or in the O-protonated positions.These examples show that the incorporation of quantum mechanical effects in enzyme kinetics modeling offers an opportunity to accurately and reliably model the mechanisms and free energies of enzymatic reactions.