基于成分连续变化计算黏度的合金系临界冷速模型

在大块非晶临界冷却速率的非等温转变计算模型基础上提出了基于成分连续变化计算黏度的合金系临界冷速模型. 依据此模型对Zr-Ni-Al-Cu四元合金的临界冷却速率进行了计算并预测了Zr_66.67(Ni_{xAlyCuz)33.33合金系中容易形成非晶的成分范围. 计算值与实验值符合得较好. 计算结果表明，此合金系具有很强的非晶形成能力，特别是在靠近共晶点的中心区域，临界冷却速率小于100 K/s，为容易形成非晶的成分范围. 冷却过程中，在高于1000K温度区间，没有发生明显的结晶现象，而在980 K至870 K温度范围内，结晶分数快速增大，低于870 K时不再发生明显改变. 此外，分析了合金系中Al，Cu，Ni原子摩尔分数的变化对临界冷速的影响. 关键词： 大块非晶 黏度 临界冷却速率 非晶形成能力}     

Cu-Ni合金结构的分子动力学模拟

采用EAM作用势对Cu Ni合金的结构特性进行了MD模拟研究 .通过FZ结构因子可发现 ,Cu含量的变化对结构因子的波动影响很小 ,键取向序参数和键对也表现出相似的变化规律 ,这表明液态Cu Ni合金对成份变化不敏感 ,体系中的化学序较弱 .将Cu70 Ni3 0 合金熔体的FZ结构因子与Waseda的实验结果进行对比 ,发现二者吻合得较好 ,表明EAM势可以很好地描绘Cu Ni合金的结构特性 .在快速冷却过程中 ,除了Cu2 0 Ni80 合金外 ,其他合金成份的双体分布函数的第二峰都发生了劈裂 ,标志着体系最终形成了非晶结构 ,而Cu2 0 Ni80 合金的双体分布函数却表现出晶体峰的特征 .通过对键取向序参数、键型指数以及铜镍原子的有效扩散系数的分析表明 ,在快速冷却过程中 ,Cu2 0 Ni80 合金最终形成了hcp晶体结构     

Cu_(45)Zr_(55-x)Al_x(x=3,7,12)块体非晶合金的第一性原理分子动力学模拟研究

利用第一性原理分子动力学模拟对Cu45Zr55-xAlx(x=3,7,12)块体非晶合金熔体在快速冷却为玻璃态过程中原子结构的演变进行了系统的研究.结果显示,以Al为中心的二十面体是合金熔体在液—固转变过程中最稳定的原子团簇结构,可视为该合金系中的基本结构单元;以Al为中心的稳定团簇的数量和在空间中的组成形式决定了该合金微观结构的非均匀性和原子扩散能力的大小,这也是影响合金宏观力学性能和玻璃形成能力的关键因素.     

Ni-Co合金快淬过程的分子动力学模拟

采用分子动力学模拟熔体旋淬技术的合金快淬过程,在不同的冷却速度下研究Ni-Co合金在快淬后的结构特征.模拟发现:Ni-Co二元合金的凝固过程对冷却速率的变化较为敏感,体系对形成非晶对冷却速率要求较高,约在80 K/ps以上,可以采用增加添加元素的方法来降低材料对冷却速率的要求;在75 K/ps的冷却速率下合金最终完全晶...     

Cu3Au熔体快速冷却过程微观结构演化的分子动力学模拟

利用分子动力学模拟技术研究了金属间化合物Cu3Au熔体的双体分布函数g(r)在快速凝固条件下随温度的变化情况，结果表明，Cu3Au降温至700K时第二峰已发生劈裂，液态金属中已经产生了非晶态；用键对分析技术详细考察了Cu3Au中微观组团随温度的演化特点，液体中的键对数及多面体数与温度的关系都表明，Cu3Au在向非晶转变的过程中，的确发生了微观结构组态的变化，其中以液体中的缺陷多面体随温度变化最为剧烈。非晶不是过冷液态的“冻结”。     

冷却过程中Pd_(923)团簇的结构转变研究

本文利用分子动力学模拟方法,研究了钯团簇在不同冷却条件下形成晶体及非晶的过程.利用平均原子体积、双体分布函数、键对分析和键序参数方法研究了微观局域结构随温度的变化关系.研究发现:在50 K/ps冷却过程中,液态Pd923团簇在1000 K发生玻璃化转变,在100 K下形成非晶结构;而在0.1K/ps冷却过程中,液态Pd923团簇发生结晶,并最终形成六角密排(hcp)晶体结构.     

大块非晶临界冷却速率的非等温转变计算模型

在非等温转变理论以及非稳态形核理论基础上提出了计算大块非晶合金连续冷却转变曲线和 临界冷却速率的新模型,以用于评估合金的非晶形成能力. 依据此模型对Zr基和Pd基8种合金 进行了计算，计算结果与实验值符合较好. 计算结果表明，影响临界冷却速率的主要因素为 黏度、临界形核功和临界结晶分数. 随着黏度增大，临界冷却速率降低；随临界形核功增大 ，临界冷却速率急剧降低；随临界结晶分数增大，临界冷却速率起初降低较快，达到一定程 度后下降速率趋于缓慢. 关键词： 临界冷却速率 非晶形成能力 大块非晶 连续冷却转变曲线     

冷却过程中Pd923 团簇的结构转变研究

本文利用分子动力学模拟方法, 研究了钯团簇在不同冷却条件下形成晶体及非晶的过程. 利用平均原子体积、双体分布函数、键对分析和键序参数方法研究了微观局域结构随温度的变化关系. 研究发现：在50 K/ps冷却过程中,液态Pd923团簇在1000 K发生玻璃化转变,在100 K下形成非晶结构; 而在0.1 K/ps冷却过程中,液态Pd923团簇发生结晶,并最终形成六角密排（hcp）晶体结构。     

Cu3Au熔体快速冷却过程微观结构演化的分子动力学模拟

利用分子动力学模拟技术研究了金属间化合物Cu3Au熔体的双体分布函数g(r)在快速凝固条件下随温度的变化情况,结果表明,Cu3Au降温至700K时第二峰已发生劈裂,液态金属中已经产生了非晶态;用键对分析技术详细考察了Cu3Au中微观组团随温度的演化特点,液体中的键对数及多面体数与温度的关系都表明,Cu3Au在向非晶转变的过程中,的确发生了微观结构组态的变化,其中以液体中的缺陷多面体随温度变化最为剧烈.非晶不是过冷液态的"冻结".     

Fe_50Cu_50合金熔体相分离过程的分子动力学模拟

基于镶嵌原子势,采用分子动力学模拟的方法探讨了Fe50Cu50合金熔体在1823 K下液-液相分离过程.结果发现:熔体中同类原子配位数随弛豫时间的延长逐渐增大,而异类原子配位数逐渐减少;由BhatiaThornton结构因子SCC(q)获得的相关长度随时间的变化也呈现出明显的递增趋势,表明该合金熔体在该温度下发生了液—液相分离.原子轨迹的可视化显示结果发现,相分离的初期,体系呈明显的网络状组织,随时间的延长,异类原子逐渐分离,最终形成富Fe和富Cu的相分离组织,符合调幅分解特征.与Fe75Cu25合金熔体的相分离过程对比发现,Fe与Cu原子数目相差越小,相分离行为越剧烈,形成稳定分层结构所需的时间越短.以上研究从原子尺度上表征了金属熔体的相分离过程.     

Temperature dependence features of the photoluminescence spectral distribution of Li2B4O7 and Li2B4O7:Cu

The temperature dependence of the photoluminescence (PhL) spectral distributions has been reported for the lithium tetraborate Li₂B₄O₇ (LTB) and Li₂B₄O₇:Cu (LTB:Cu) single crystals and for glassy LTB:Cu. It was found that the emission peaks of the LTB and LTB:Cu single crystals are non-elementary and splittable by temperature increase into several elementary peaks. By the sample heating the temperature quenching of PhL as well as the redistribution of the PhL intensity among elementary peaks was observed. Heating of the LTB:Cu single crystal samples caused no shift of the spectral maxima of the individual PhL peaks. The curve describing the temperature dependency of individual PhL peaks for the LTB:Cu single crystal is characterized by maxima resulting from combination of PhL and thermostimulated luminescence (TSL). The PhL intensity for glassy LTB:Cu is significantly lower than that for LTB:Cu single crystal with the equivalent copper dopant content. As compared to the LTB:Cu single crystal, the PhL spectral maximum for glassy LTB:Cu is wider and shifted to the lower energy range. Heating of the glassy LTB:Cu sample results in the PhL temperature quenching without any shift of the spectral maximum.     

Effects of cooling rates on the mechanical properties of a Ti-based bulk metallic glass

Mechanical properties of the glassy specimens fabricated at different cooling rates with a composition of Ti40Zr25Cu12Ni3Be20 were systematically investigated. It was confirmed that faster cooling rates caused not only a larger amount of frozen-in free volume but also a higher glass transition temperature in the bulk glassy alloy. Increase in the free volume was found to favor plastic deformation and then to give rise to larger compressive plasticity, whilst the rise in the glass transition temperature seem...     

Formation of a disordered (Glassy) phase in deformed solid <Superscript>4</Superscript>He in the region of supersolid state

A method has been proposed to create disorder in helium crystals by their deformation immediately during the experiment. Precise measurements of the pressure have been performed at a constant volume in samples of various qualities. It has been revealed that excess pressure, which is characterized by the quadratic temperature dependence typical of the disordered glassy phase and of the dislocation contribution to the pressure, is observed in the deformed crystals along with the phonon contribution to the pressure. The effect is observed in the supersolid-state region and disappears after the careful annealing of the crystals. The ultraslow relaxation of the pressure also characteristic of the glassy phase has been observed in the process of annealing of the crystals. The obtained experimental results have been analyzed in the framework of the dislocation model and the model of two-level tunneling states.     

Shock-wave studies of anomalous compressibility of glassy carbon

The physico-mechanical properties of amorphous glassy carbon are investigated under shock compression up to 10 GPa. Experiments are carried out on the continuous recording of the mass velocity of compression pulses propagating in glassy carbon samples with initial densities of 1.502(5) g/cm³ and 1.55(2) g/cm³. It is shown that, in both cases, a compression wave in glassy carbon contains a leading precursor with amplitude of 0.135(5) GPa. It is established that, in the range of pressures up to 2 GPa, a shock discontinuity in glassy carbon is transformed into a broadened compression wave, and shock waves are formed in the release wave, which generally means the anomalous compressibility of the material in both the compression and release waves. It is shown that, at pressure higher than 3 GPa, anomalous behavior turns into normal behavior, accompanied by the formation of a shock compression wave. In the investigated area of pressure, possible structural changes in glassy carbon under shock compression have a reversible character. A physico-mechanical model of glassy carbon is proposed that involves the equation of state and a constitutive relation for Poisson’s ratio and allows the numerical simulation of physico-mechanical and thermophysical properties of glassy carbon of different densities in the region of its anomalous compressibility.     

激光微区发射光谱谱线品质的研究

利用单脉冲YAG激光、YGJ Ⅱ激光微区分析仪结合光电检测系统 ,在减压氩气环境下实验研究了金属分析样品发射光谱中CuⅠ 32 4 7nm和CuⅠ 32 7 4nm的时间特性、谱线强度及空间分布 ,并与空气环境下的实验结果进行了比较。实验结果表明在减压氩气环境下 ,激光微区发射光谱与环境气体、环境气压和辅助激发参数密切相关。当辅助电极端面直径为 1 5mm、辅助电极距分析样品表面高度为 4mm、辅助电极间距为3mm、辅助激发电压为 1 30 0V、氩气压力 33 2kPa时 ,CuⅠ 32 4 7nm和CuⅠ 32 7 4nm谱线的发射时间比空气下延长了 50 0 μs,谱线强度约为相同气压空气环境下的 4倍 ,约为 1个大气压空气环境下谱线强度的 2倍 ,谱线的半最大值宽度明显变窄。因此氩气环境延长了谱线的发射时间 ,减少了自吸效应 ,使谱线强度明显增强 ,谱线品质得到显著改善。     

Effects of minor Cu addition on glass-forming ability and magnetic properties of FePCBCu alloys with high saturation magnetization

The effects of minor addition of Cu on glass-forming ability (GFA), thermal stability and magnetic properties of (Fe_0.8P_0.09C_0.09B_0.02)_{100? x} Cu _x (x?=?0–1) alloys were investigated. The introduction of Cu slightly increases the GFA and efficiently improves the primary crystallization of α-Fe nanoparticles. The alloy with 0.3% Cu addition shows the best GFA and the fully glassy rods can be produced up to 2?mm in diameter. The saturation magnetization of the glassy sample with 0.7% Cu addition can be enhanced from 1.44 to 1.60?T after proper heat treatment due to the precipitation of α-Fe nanoparticles in the glassy matrix. The combination of large GFA and high saturation magnetization as well as low cost makes the FePCBCu alloys as a kind of promising soft magnetic materials for industrial applications.     

Electrochemical study and electrodeposition of copper in the hydrophobic tri-n-octylmethylammonium chloride ionic liquid media

The electrodeposition of metallic Copper in binary mixture ionic liquid/organic solvent (tri-n-octylmethylammonium chloride (TOMAC))/chloroform (CHCl₃) was investigated. The electrochemical behavior of Cu(II) in TOMAC/CHCl₃ at glassy carbon working electrode at room temperature was studied by cyclic voltammetry and spectroscopy impedance. The results from the cyclic voltammetry showed that the electrodeposition of metallic Cu in the binary mixture ionic liquid/organic solvent was an irreversible process and was controlled by the diffusion of Cu(II) on a glassy carbon working electrode. The average value of αn_α was found to be 0.23 at 25 °C and the diffusion coefficient (D₀) of Cu(II) was calculated to be 7.12 10^− 9 cm²/s at room temperature. The performance of TOMAC ionic liquid such as internal resistance has been investigated with electrochemical impedance spectroscopy (EIS). The scanning electron microscopy (SEM) micrographs was used to observe that the copper plating was moderately dense and contains fine crystallites with average sizes of about 1 μm at room temperature. Energy dispersive X-ray analysis (EDAX) profile showed that the obtained film was copper.     

XAFS study of copper and silver nanoparticles in glazes of medieval middle-east lustreware (10th–13th century)

It has recently been shown that lustre decoration of medieval and Renaissance pottery consists of silver and copper nanoparticles dispersed in the glassy matrix of the ceramic glaze. Here the findings of an X-ray absorption fine structure (XAFS) study on lustred glazes of shards belonging to 10th and 13rd century pottery from the National Museum of Iran are reported. Absorption spectra in the visible range have been also measured in order to investigate the relations between colour and glaze composition. Gold colour is mainly due to Ag nanoparticles, though Ag⁺, Cu⁺ and Cu²⁺ ions can be also dispersed within the glassy matrix, with different ratios. Red colour is mainly due to Cu nanoparticles, although some Ag nanoparticles, Ag⁺ and Cu⁺ ions can be present. The achievement of metallic Cu and the absence of Cu²⁺ indicate a higher reduction of copper in red lustre. These findings are in substantial agreement with previous results on Italian Renaissance pottery. In spite of the large heterogeneity of cases, the presence of copper and silver ions in the glaze confirms that lustre formation is mediated by a copper- and silver-alkali ion exchange, followed by nucleation and growth of metal nanoparticles.     

氧分压对Cu-NiFe_2O_4金属陶瓷相成份的影响

用高温固相法合成的NiFe2O4陶瓷粉末,选取Cu为金属陶瓷的金属相成分,研究了氧分压对Cu-NiFe2O4金属陶瓷的相成份的影响,结果表明:当烧结温度为1150℃,氧分压大于2.23Pa时,Cu被大量氧化;氧分压小于4.2×10-3Pa时,Cu和离解的Ni反应生产Cu3.8Ni合金,试样的导电性或抗氧化性都会降低,1150℃下烧结制备Cu-NiFe2O4金属陶瓷的最佳氧分压是(0.3-42.0)×10-2Pa。     

Pressure-induced solidifications of liquid sulfur below and above λ-transition

Two kinds of glassy sulfurs are synthesized by the rapid compression method from liquid sulfur at temperatures below and above the λ-transition point. The glassy sulfur has different colors and transparencies, depending on temperature, which may inherit some structural information from the λ-transition. Raman spectrum studies of these samples show that a large fraction of polymeric chains exist in the glassy sulfur, even in the one solidified from T T_λ. We find that a higher compression rate instead of a higher temperature of the parent liquid captures more polymeric chains. Pressure-induced glassy sulfur presents high thermal stability compared with temperature quenched glassy sulfur and could transform into liquid sulfur directly without crystallization through an abnormal exothermic melting course. High energy x-ray diffraction is utilized to study the local order of the pressure-induced glassy sulfur.