Magnetic properties and magnetoresistance effect of SnFe2O4 spinel nanoparticles: Experimental,ab initio and Monte Carlo simulation

In this contribution, SnFe₂O₄ nanoparticles were prepared by the solvothermal method, the structural properties were performed using X-Ray Diffraction (DRX) to prove the success of tin ferrite formation and to determine de crystals parameters. The size and morphological study were build using Scanning Electron Microscopy (SEM) and Transmission Electron microscopy (TEM), the results showed that the size of particles is uniform with a range of particles (5–7 nm). The magnetic properties were carried out using the SQUID device, the SnFe2O4 nanoparticles have a magnetic transition at 750 K. In addition, the hysteresis loops at low temperature displayed Ms and Mr equals to 23 emu/g and 6 emu/g, respectively. The magnetoresistance properties were investigated, the SnFe₂O₄ nanoparticles present a large magnetoresistance effect (80%). The experimental results are supplemented by model calculations utilizing density functional theory and Monte-Carlo simulations.     

An exploration of corrosion inhibition of mild steel in sulphuric acid solution through experimental study and Monte Carlo simulations

Abstract

4-[4-(1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl]methylbenzophenone (ITBP) and 4[4-(1H-1,2,4-triazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl]methylbenzophenone (TTBP) are synthesized as new heterocyclic compounds of the triazole derivative family and tested successfully as potential inhibitors for MS in 1?M H₂SO₄ corrosive medium by using gravimetric analysis, electrochemical impedance spectroscopy, potentiodynamic polarization, and energy dispersive X-ray spectroscopy (EDX). Polarization curves show that the tested inhibitors are mixed-type inhibitors. Scanning electron microscopy (SEM) affirmed the existence of an adsorbed film on the steel surface. Monte Carlo simulations were in excellent agreement with the experimental tests.

Abbreviation: PDP: Potentiodynamic Polarization; EIS: Electrochemical impedance spectroscopy; DFT: Density functional theory; MC: Monte Carlo     

基于最小维修的石化安全设备区间截尾寿命数据分析

在石化安全关键设备寿命截尾数据的可靠性评估过程中，为避免传统可靠性评估方法未考虑维修对故障间隔时间的影响，以及中值填充法误差较大的缺点，本文提出了一种逆变换区间截尾数据填充方法。首先，在可修系统基于最小维修的假设下，通过非齐次泊松过程描述系统的故障趋势，利用逆变换填充得到监测区间的缺失数据；随后根据蒙特卡罗期望最大化算法，获得填充数据的参数估计值。通过蜡油加氢装置紧急泄压阀的案例分析，该算法能够很好地融合已有数据，得到的形状参数估计值偏差与中值填充法相比缩小4%以上，从而验证了该算法的有效性；这有助于安全关键设备的定量化完整性管理，保障石化装置平稳运行。     

Robust nonlinear feedback–feedforward control of a coupled kinetic Monte Carlo–finite difference simulation

Robust nonlinear feedforward–feedback controllers are designed for a multiscale system that dynamically couples kinetic Monte Carlo (KMC) and finite difference (FD) simulation codes. The coupled codes simulate the copper electrodeposition process for manufacturing on-chip copper interconnects in electronic devices. The control objective is to regulate the current density subject to the condition that the steady-state fluctuation of the overpotential remains bounded within ±0.01 V. The controller designs incorporate a low-order stochastic model that captures the input–output behavior of the coupled KMC–FD code. The controllers achieve the objectives and the closed-loop responses implemented on the low-order model and the coupled KMC–FD code match well within stochastic variations. The nonlinear feedforward control reduces the rise time of the controller response while the feedback control ensures robustness in the presence of model uncertainty.     

实验室的质量监督(上)

质量监督是实验室保持人员能力,进行自我完善,日常渐进的重要手段,是持续改进的重要组成部分,也是实验室管理工作的难点,本文给出质量监督的目的、对象、方法、记录等.     

Monte Carlo simulation of gas phase polymerization of 1,3‐butadiene. Part II: Kinetics optimization and confirmation

Studies on the deactivations and initiations of gas phase polymerizations of 1,3‐butadiene have been achieved by Monte Carlo simulation. Initiation and deactivation control the reaction before and after the peak of the polymerization rate, respectively. The influence of polymerization temperature has been studied. Monte Carlo modeling of polymerization kinetics and mechanism was confirmed by the agreement of experimental data and simulation results of polymerizations run with a temporary evacuation of monomer. The balance of catalysts and active chains is established by both initiation and chain transfer reactions with cocatalyst, which causes a ‘pseudo‐stability’ stage. © 2003 Society of Chemical Industry     

Cartesian grid methods using radial basis functions for solving Poisson, Helmholtz, and diffusion–convection equations

Four methods that solve the Poisson, Helmholtz, and diffusion–convection problems on Cartesian grid by collocation with radial basis functions are presented. Each problem is split into a problem with an inhomogeneous equation and homogeneous boundary conditions, and a problem with a homogeneous equation and inhomogeneous boundary conditions. The former problem is solved by collocation with multiquadrics, whereas the latter problem is solved by collocation with either multiquadrics or fundamental solutions. It is found that methods that make use of fundamental solutions for collocation yield more accurate solutions that are less sensitive to the shape parameter of multiquadrics and node arrangement. Additional collocation appears to improve the quality of solutions.     

A stochastic model for localized disturbances and its applications

A stochastic model for local disturbances, particularly for a temporal harmonic with random modulations in amplitude and/or phase, is proposed in this paper. Results for the second moment responses of a linear single-degree-of-freedom system to this type of stochastic loading demonstrate a significant change in response characteristics due to a small uncertainty. A local phenomenon may last much longer and resonance may be smeared to a broad range. Integrated with wavelet transform, the proposed approach may be used to model a random process with non-stationary frequency content. Especially, it can be effectively used for Monte Carlo simulation to generate large size of samples that have similar characteristics in time and frequency domains as a pre-selected mother sample has. The technique has a great potential for the case where uncertainty study is warranted but the available samples are limited.     

低渗透率地层渗透率的确定方法

结合大庆油田外围低渗透率地层的地质特点,根椐渗流理论和岩心分析资料,分析了地层渗透率与孔隙度、组成地层的各种矿物含量以及泥质含量之间的关系,建立了不同矿物组合地层的渗透率计算方程。用本方法计算的和岩心分析的渗透率进行了对比,二者之间具有较好的一致性。     

射孔孔眼中散射超声脉冲波的FEM模拟

采用有限元素法 ,分别数值计算了平底孔道、台阶式孔道和尖劈状孔道等 3种孔眼模型中不同中心频率 (10 0 k Hz、5 0 0 k Hz、1MHz)的散射超声脉冲波。计算结果表明 ,无论选用哪一种孔底模型 ,均可以得到较为明显的对应于孔底的声波信号。但是 ,孔道越不规则 ,使用的超声信号的主频越高 ,则孔底信号越差。为了兼顾孔底信号质量和信号采集、传输的代价 ,在未来的检测仪器中应采用尽可能低的测量频率 (低于 5 0 0 k Hz)