Configurational Entropy, Diffusivity and Potential Energy Landscape in Liquid Argon

The configurational entropy, diffusion eoefficient, dynamics and thermodynamics fragility indices of liquid argon are calculated using molecular dynamics simulations at two densities. The relationship between dynamics and thermodynamics properties is studied. The diffusion coefficient depends linearly on configurational entropy, which is consistent with the hypothesis of Adam Gibbs. The consistence of dynamics and thermodynamics fragility indices demonstrates that dynamical behaviour is governed by thermodynamics behaviour in glass transition of liquid argon.     

Isobaric-isothermal molecular dynamics study on the glass transition of a Lennard-Jones system

By means of constant-pressure, constant-temperature molecular dynamics simulations, we study the glass transition of a system composed of 864 Lennard-Jones particles with periodic boundary conditions. We calculate the thermodynamic properties, the structure properties, the diffusion constant and the microscopic structural parameters of our system, all of which show, at the nearly same temperature, the behaviours characteristic of the glass transition. The effect of the quench rate is such that the lower the quench rate, the lower the glass transition temperature and the more stable the obtained glass. Our simulations indicate that, for argon, the critical quench rate which separates the glass-forming quench rates and the crystal-forming quench rates is in the range between 4×10¹⁰ K/sec and 40×10¹¹ K/sec.     

Atomistic investigation of phase transition in solid argon induced by shock wave transmission

A molecular dynamics (MD) simulation is employed to study the phase transition process in argon induced by shock wave transmission. Deriving the relation between the shock and piston velocities, the theoretical equation of state for argon is presented. Also, argon equation of state is obtained by measuring the quantities directly from simulations to be able to detect the phase transitions. The phase transition is also detected by using argon phase diagram and free energy calculations. A comparison shows good agreement between the theoretical and MD results for the phase transitions. Based on these simulations, it is concluded that under a shock wave transmission with suitable energy, the solid argon experiences a phase transition from solid to liquid and another from liquid to supercritical fluid. By reflecting the shock wave back at the end of its passage, the whole argon may reach the supercritical state.     

Properties of Atmospheric Pressure Ar Plasma Jet Depending on Treated Dielectric Material

Atmospheric pressure plasma jet operated in argon was utilized to modify surfaces of glass, acrylic, and PTFE dielectrics. This paper describes the influence of the dielectric substrate on operation and properties of plasma. Two modes of operation (each of those have two patterns) were described. The transition from one mode to another, values of the dissipated power, and spreading of plasma over the dielectric surfaces strongly depended on the substrate material. Additionally, three methods of plasma spreading estimation were presented and discussed.     

VO2 thin films based active and passive thermochromic devices for energy management applications

VO₂ thin films were fabricated by argon ion beam assisted non-reactive ac dual magnetron sputtering followed by carefully controlled thermal oxidation. This method is known to give high quality compact thin films with uniform high deposition rates. Thin films deposited on both bare glass and indium tin-oxide (ITO) coated glass substrates were studied, respectively, as passive and active thermochromic devices for their electrical and optical switching behaviors. Thin films varying in thicknesses from 65 to 250 nm were investigated. ITO film was used as an integrated heating device to activate the phase transition via an applied bias voltage. Such structures were found to bear several advantages from an application point of view.     

Sm3+掺杂稀土硼酸盐玻璃的光谱参数计算和荧光光谱分析

制备了具有高效可见荧光发射的Sm3 掺杂稀土硼酸盐(LBLB)玻璃,对玻璃的吸收和荧光光谱展开了测试与分析.根据Judd-Ofelt理论对吸收光谱进行了拟合,求得Sm3 离子的晶场调节参数Ωt=(2,4,6)分别为6.81×10-20,4.43×10-20和2.58×10-20 cm2,并进一步计算出各能级跃迁的谱线强度、自发辐射跃迁概率、辐射寿命和荧光分支比等光谱参数.紫外光激发下,Sm3 掺杂LBLB玻璃发出明亮的橙红色光.激发光谱表明,氩离子激光器是Sm3 掺杂LBLB玻璃有效的激发光源.     

Modes of particle combustion in iron dust flames

The so-called argon/helium test is proposed to identify the combustion mode of particles in iron dust flames. Iron powders of different particle sizes varying from 3 to 34 μm were dispersed in simulated air compositions where nitrogen was replaced by argon and helium. Due to the independence of the particle burning rate on the oxygen diffusivity in the kinetic mode, the ratio between the flame speeds in helium and argon mixtures is expected to be smaller if the particle burning rate is controlled by reaction kinetics rather than oxygen diffusion. Experiments were performed in a reduced-gravity environment on a parabolic flight aircraft to prevent particle settling and buoyancy-driven disruption of the flame. Uniform suspensions of the iron powders were produced inside glass tubes and a flame was initiated at the open end of the tube. Quenching plate assemblies of various channel widths were installed inside the tube and pass or quench events were used to measure the quenching distance. Flame propagation was recorded by a high-speed digital camera and spectral measurements were used to determine the temperature of the condensed emitters in the flame. The measured flame speeds and quenching distances were in good agreement with previously developed one-dimensional, dust flame model where the particles are assumed to burn in a diffusive mode and heat losses are described on a volumetric basis. However, a significant drop of the ratio of flame speeds in helium and argon mixtures was observed for finer 3 μm particles and was attributed to a transition from the combustion controlled by diffusion for larger particles to kinetically controlled burning of micron-size particles. In helium mixtures, the lower flame temperatures measured in suspensions of fine particles in comparison to larger particles reinforces this assumption.     

磁控溅射制备W掺杂VO2/FTO复合薄膜及其性能分析

为了获得相变温度低且热致变色性能优越的光学材料, 室温下在F:SnO₂ (FTO)导电玻璃基板表面沉积钨钒金属膜, 再经空气气氛下的热氧化处理, 制备了W掺杂VO₂/FTO复合薄膜, 利用X射线光电子能谱、X射线衍射和扫描电镜对薄膜的结构和表面形貌进行了分析. 结果表明: 高温热氧化处理过程中没有生成W, F, V混合氧化物, W以替换V原子的方式掺杂. 与采用相同工艺和条件制备的纯VO₂/FTO复合薄膜相比, W掺杂VO₂薄膜没有改变晶面取向, 仍具有(110)晶面择优取向, 相变温度下降到35 ℃左右, 热滞回线收窄到4 ℃, 高低温下的近红外光透过率变化量提高到28%. 薄膜的结晶程度明显提高, 表面变得平滑致密, 具有很好的一致性, 对光电薄膜器件的设计开发和工业化生产具有重要意义. 关键词： W掺杂 2')" href="#">VO₂ FTO导电玻璃 磁控溅射     

环境气氛对高能量激光诱导等离子体辐射特性的影响

采用高能量钕玻璃激光器(～25 J)激发诱导金属等离子体,研究了环境气体及其压力对等离子体辐射特性的影响。实验结果表明,相同压强下,氩气中等离子体的谱线强度明显高于空气中等离子体的谱线强度;0.8×105Pa氩气条件下,光谱标钢等离子体的谱线强度达到了最大值;随着环境气压的增大,谱线自吸明显增强,当环境气压达到(0.8～0.93)×105Pa时,标样铝的AlⅠ308.22 nm和AlⅠ309.27 nm两条谱线产生了严重自蚀;另外,等离子体的激发温度也随环境气压的增大而增大,0.93×105Pa氩气条件下标钢等离子体的激发温度相对于0.43×105Pa时升高了近1 500 K。     

Observation of a transition in the dynamics of strong-field double ionization

The double ionization of argon and xenon in an intense laser field has been studied in detail using an electron-ion coincidence technique. The observed double ionization electron spectra in xenon show resonancelike structures here resolved for the first time. In argon, the featureless spectra are consistent with rescattering. This represents a clear transition in the dynamics of strong-field double ionization, analogous to the well-known transition between the tunneling and multiphoton regimes in single ionization.     

Simulations of V-I characteristics in a plasmafocus fun

The voltage and current characteristics in a plasma focus gun are simulated to yield the current efficiency and the rundown velocity of the current sheath. Since the discharge circuit is strongly influenced by the rundown dynamics of the current sheath, the simple snowplow model, which is modified to include the time-varying current and mass efficiencies, us used. The computer simulations are carried out for two separate experiments using deuterium and argon gas. A steady state of constant rundown velocity and saturated sheath current for both gases is correlated to the maximum holding voltage of the glass insulator. As much as 27% of the total discharge current for the deuterium gas and 33% for argon gas stay behind as leakage currents around the glass insulator when the radial compression phase begins     

Ca70Mg30金属玻璃形成过程热力学、 动力学和结构特性转变机理的模拟研究

采用分子动力学方法对Ca₇₀Mg₃₀合金快速凝固玻璃形成过程进行了计算机模拟, 深入分析了液-固玻璃转变过程热力学、 动力学和结构特性的转变机理, 对不同方法所确立的玻璃转变温度之间的关系进行了探讨. 结果表明: 本模拟计算所获得的Ca₇₀Mg₃₀金属玻璃的结构因子和玻璃转变温度均与实验结果符合, 而且二十面体局域结构对Ca₇₀Mg₃₀金属玻璃的形成起决定性作用. 由于周围原子形成的瞬时"笼子效应", 过冷液体动力学特性逐渐偏离Arrhenius规律而满足模态耦合理论的幂指数规律. 动力学玻璃转变温度接近于微观结构玻璃转变温度, 但高于热力学玻璃转变温度; 而且它们与理想动力学玻璃转变温度之间满足Odagaki关系.     

非晶材料玻璃转变过程中记忆效应的热力学

低温下处于非平衡态的非晶材料升温到玻璃转变以上,要先后发生弛豫和回复最终达到平衡过冷液态,其中弛豫过程中释放的能量在回复过程中以等量的方式获取,表现出明显记忆行为.本文基于氧化物、金属与小分子等多种非晶形成体系,全面探讨了在围绕玻璃转变的一个冷却加热循环过程中的焓弛豫特征,建立了弛豫谱,发现弛豫焓在数值上与熔化焓密切相关.基于弛豫焓与非晶材料动力学Fragility之间的关联,展示了非晶体系在动力学极限(m=175)条件下的玻璃转变热力学基本特征,与热力学二级相变进行了对比.研究深化了对非晶弛豫与玻璃转变热力学的理解.     

水的玻璃化转变的研究

本文用我们液态低频力学谱方法对玻璃化转变研究领域中一个持续半个多世纪、十分令人困扰的热点水的玻璃化转变问题进行了研究。用表征玻璃化转变最直接的参量力学模量，首次实现对水的玻璃化转变过程的明确表征，得出水的玻璃化转变温度是163K，而不是长期一直认为的136K。另外，水的玻璃化转变表现出不同于传统玻璃化转变的反常耗散行为。研究还表明，水的玻璃化转变温度表现出重要的同位素效应，这是水的玻璃化转变奇异特征的一个反映，也是在玻璃化转变研究中首次观测到同位素效应。     

Evidence of glass transition in thin films of maleic anhydride derivatives: Effect of the surfactant coadsorption

The glass transition temperature of poly (maleic anhydride-alt-1-octadecen) and poly (styreneco-maleic anhydride) cumene-terminated thin films has been measured by mechanical relaxation of Langmuir films of these polymers. The dynamical properties show glass-like features (non-Arrhenius relaxation times and non-Debye mechanical response) interpreted by the coupling model. The glass transition temperature values determined by a mechanical relaxation experiment (step-compression) agree very well with those obtained by surface potential measurements. It is found that the glass transition temperature values in thin films decrease by about 100K as compared with those corresponding to the bulk polymers. The coadsorption of the water-insoluble surfactant DODAB decreases the glass transition temperature.     

甲烷凝结系数的分子动力学研究

对甲烷的蒸发与凝结过程进行了分子动力学模拟，采用特征时间法统计获得了甲烷在不同温度条件下的凝结系数，并与氩的凝结系数进行了比较。结果表明，甲烷与氩的凝结系数都随温度增加而减小，但温度对甲烷凝结系数的影响小于对氩凝结系数的影响，其差异可以用蒸发与凝结的过渡态理论进行解释。     

Zr-Cu Amorphous Films Prepared by Magnetron Co-sputtering Deposition of Pure Zr and Cu

ZrxCu100-x amorphous films are prepared on Si （111） substrates by magnetron co-sputtering of pure Zr and Cu. It is found that the glass forming ability （GFA） of the films increases with x when x is in the range from 35 to 65 and with the best glass forming ability at x = 65. It is therefore different from the bulk counterparts, for which only x = 35 and 50 were reported to have high glass forming ability during casting. The structure of the films is sensitive to the substrate temperature and the sputtering argon pressure.     

Revisiting the Entangled Chains of Polymer in the Carbyne Model

The Monte Carlo carbyne model is modified to investigate the glass transition of the simplified polymer chains. The stochastic bombardment between monomers is monitored by Metropolis algorithm with the help of the consideration of hard potential while the mobility of monomers is governed by its mass, scattering rate, and temperature. Our model is capable to show that the glass transition temperature reduces with decreasing film thickness and the formation of critical voids in the thinner polymer contributing to the glass transition that is much easier than the bulk polymer.     

The proton-reduced L X-ray spectrum of argon

The argon L X-ray spectrum produced by 100 keV protons is presented. A new line, not observed in the electron- produced spectrum, appears at 262 eV is interpreted as a 3d→2p transition. Since the 3d level is normally empty in argon, the data provide the first direct evidence from X-rays following proton bombardment of excitation of electrons to bound states.     

玻璃转变研究进展

玻璃转变是凝聚态物理基础理论中的一个重要问题和难题，是涉及动力学和热力学的众多前沿问题．玻璃转变的理论一直在不断的发展和更新．从20世纪50年代出现的自由体积理论到现在还在不断完善的模态耦合理论及其他众多理论，都只能解决玻璃转变中的某些问题．一个完整的玻璃转变理论仍需要人们作艰苦的努力．为了澄清混淆不清的玻璃转变概念，文章就玻璃转变的概念、研究内容和有关理论的发展进行简述．在分析了几个占主导地位的玻璃转变理论后，阐述了玻璃转变中需要进一步深入研究的问题．