Molecular simulation of phase coexistence: Finite-size effects and determination of critical parameters for two- and three-dimensional Lennard-Jones fluids

Abstact The subject of this paper is the investigation of finite-size effects and the determination of critical parameters for a class of truncated Lennard-Jones potentials. Despite significant recent progress in our ability to model phase equilibria in multicomponent mixtures from direct molecular simulations, the accurate determination of critical parameters remains a difficult problem. Gibbs ensemble Monte Carlo simulations with systems of controlled linear system size are used to obtain the phase behavior in the near-critical region for two- and three dimensional Lennard-Jones fluids with reduced cutoff radii of 3, 3.5, and 5. For the two-dimensional systems, crossover of the effective exponent for the width of the coexistence curve from mean field ( = 1/2 in the immediate vicinity of the critical point to Ising-like (= 1/8) farther away is observed. Critical parameters determined by fitting the data that follow Ising-like behavior are in good agreement with literature values obtained with finite-size scaling methods. For the three-dimensional systems, no crossover to mean field-type behavior was apparent. Extrapolated results for the critical parameters are consistent with literature estimates for similar fluids. For both two- and three-dimensional fluids, system size effects on the coexistence curves away from the critical point are small, normally within simulation statistical uncertainties.Invited paper presented at the Twelfth Symposium on Thermophysical Properties, June 19–24, 1994, Boulder. Colorado, U.S.A.     

Shape design of cerium oxide nanoparticles for enhancement of enzyme mimetic activity in therapeutic applications

Cerium oxide nanoparticles (CONPs), widely used in catalytic applications owing to their robust redox reaction, are now being considered in therapeutic applications based on their enzyme mimetic properties such as catalase and super oxide dismutase (SOD) mimetic activities. In therapeutic applications, the emerging demand for CONPs with low cytotoxicity, high cost efficiency, and high enzyme mimetic capability necessitates the exploration of alternative synthesis and effective material design. This study presents a room temperature aqueous synthesis for low-cost production of shape-selective CONPs without potentially harmful organic substances, and additionally, investigates cell viability and catalase and SOD mimetic activities. This synthesis, at room temperature, produced CONPs with particular planes: {111}/{100} nanopolyhedra, {100} nano/submicron cubes, and {111}/{100} nanorods that grew in [110] longitudinal direction. Enzymatic activity assays indicated that nanopolyhedra with a high concentration of Ce⁴⁺ ions promoted catalase mimetic activity, while nanocubes and nanorods with high Ce³⁺ ion concentrations enhanced SOD mimetic activity. This is the first study indicating that shape and facet configuration design of CONPs, coupled with the retention of dominant, specific Ce valence states, potentiates enzyme mimetic activities. These findings may be utilized for CONP design aimed at enhancing enzyme mimetic activities in therapeutic applications.

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液氦温区大型低温制冷系统的可靠性评估

针对改进Claude循环的大型氦低温制冷系统,以制冷量不足为顶事件建立了故障树模型。利用结构法对故障树模型进行定性分析,分析得到系统的最小割集为18个。利用来自不同数据库的部件失效率对故障树模型进行定量计算,得到了不同的结果,并分析其原因。对各部件的关键重要度进行了计算,以衡量各个部件对系统发生故障的贡献程度。并通过增加系统冗余部件和提高关键部件可靠度等措施,为提高系统可靠性找到了有效的解决途径。     

用BASIC单片机实现油品密度的测量

油品的密度与温度有着确定的对应关系,通过测量温度可以间接测量密度。根据这一关系可以利用小巧的ＢＡＳＩＣ单片机设计一个价廉、实用的密度计。经实验对比,其稳定性较好,反应灵敏,测量较准确,较常规方法更方便快捷     

渗碳钢变温渗碳过程分析

以２０ＣｒＭｎＴｉ钢为例,建立了连续冷却渗碳模型;对变温渗碳质量进行了分析计算;对渗碳后的组织情况进行预测,从而对变温渗碳的可行性进行了理论论证．     

浅析40T支架搬运车液压系统油温变化对其效率的影响

介绍了油温变化对40T支架搬运车液压系统油液黏度、液压介质和橡胶类密封件的影响,分析了液压系统的总发热功率、总散热功率,结合动态热平衡的计算,找出了液压系统总效率与油温变化之间的关系,并给出其函数关系式。根据这种关系,通过一种工况的油温实测数据取样,计算出相应的效率值,定量地验证了液压系统油温变化引起效率变化的关系,得出了总效率随着温度变化而变化的结论,即温差增大时,总效率降低;温差减小时,总效率增大。通过该结论可以全面掌握系统的工作状态,通过降低油温有效提高效率。     

Analysis of microwave brightness temperature of lunar surface and inversion of regolith layer thickness:Primary results of Chang-E 1 multi-channel radiometer observation

In China’s first lunar exploration project, Chang-E 1 (CE-1), a multi-channel microwave radiometer was aboard the satellite, with the purpose of measuring microwave brightness temperature from lunar surface and surveying the global distribution of lunar regolith layer thickness. In this paper, the primary 621 tracks of swath data measured by Chang-E 1 microwave radiometer from November 2007 to February 2008 are collected and analyzed. Using nearest neighbor interpolation based on the sun incidence angle in ...     

Thermal and cardiovascular strain imposed by motorcycle protective clothing under Australian summer conditions

Motorcycle protective clothing can be uncomfortably hot during summer, and this experiment was designed to evaluate the physiological significance of that burden. Twelve males participated in four, 90-min trials (cycling 30 W) across three environments (25, 30, 35 °C [all 40% relative humidity]). Clothing was modified between full and minimal injury protection. Both ensembles were tested at 25 °C, with only the more protective ensemble investigated at 30 and 35 °C. At 35 °C, auditory canal temperature rose at 0.02 °C min^?1 (SD 0.005), deviating from all other trials (p < 0.05). The thresholds for moderate (>38.5 °C) and profound hyperthermia (>40.0 °C) were predicted to occur within 105 min (SD 20.6) and 180 min (SD 33.0), respectively. Profound hyperthermia might eventuate in ~10 h at 30 °C, but should not occur at 25 °C. These outcomes demonstrate a need to enhance the heat dissipation capabilities of motorcycle clothing designed for summer use in hot climates, but without compromising impact protection.

Practitioner’s Summary:

Motorcycle protective clothing can be uncomfortably hot during summer. This experiment was designed to evaluate the physiological significance of this burden across climatic states. In the heat, moderate (>38.5 °C) and profound hyperthermia (>40.0 °C) were predicted to occur within 105 and 180 min, respectively.     

分布式对象管理的几种常用技术

以丰富的分布式系统开发经验为基础,详细分析了传统和新兴的分布式对象技术,比较它们的优缺点,探索分布式对象管理的未来走向。     

Physiological responses to simulated firefighter exercise protocols in varying environments

For decades, research to quantify the effects of firefighting activities and personal protective equipment on physiology and biomechanics has been conducted in a variety of testing environments. It is unknown if these different environments provide similar information and comparable responses. A novel Firefighting Activities Station, which simulates four common fireground tasks, is presented for use with an environmental chamber in a controlled laboratory setting. Nineteen firefighters completed three different exercise protocols following common research practices. Simulated firefighting activities conducted in an environmental chamber or live-fire structures elicited similar physiological responses (max heart rate: 190.1 vs 188.0 bpm, core temperature response: 0.047°C/min vs 0.043°C/min) and accelerometry counts. However, the response to a treadmill protocol commonly used in laboratory settings resulted in significantly lower heart rate (178.4 vs 188.0 bpm), core temperature response (0.037°C/min vs 0.043°C/min) and physical activity counts compared with firefighting activities in the burn building.

Practitioner Summary: We introduce a new approach for simulating realistic firefighting activities in a controlled laboratory environment for ergonomics assessment of fire service equipment and personnel. Physiological responses to this proposed protocol more closely replicate those from live-fire activities than a traditional treadmill protocol and are simple to replicate and standardise.