元素氯高压属性的第一性原理研究

应用第一性原理密度泛函理论,研究了元素氯在高压下的属性.电子能带的计算结果指出,在130GPa氯元素从常压的绝缘体结构转变为了高压下的金属结构,发生了金属化,此转变是由能带交叠引起的,此时氯的分子相并没有发生结构相变.结构定标法则也指出氯的金属化压力接近130GPa.电子局域函数清晰地显示出了电子局域的变化情况;高于130GPa时,分子周围的电子向分子间的位置发生转移,使得此结构显现出金属性.通过综合分析弹性常数随压力的变化情况可知,氯金属化是与压力大于130GPa时弹性常数C55的软化有关.     

Ge50Sn50有序合金压力下电子性质的计算机模拟

使用第一性原理和赝势方法研究了Ge50Sn50有序合金直到9GPa压力下的能带结构和带隙的压力依赖性。发现该合金的直接带隙随着压力的增大几乎是线性增加，在4．7GPa时达到最大值0．72eV：在该压力下发生直接带隙至间接带隙的转变，其导带在4．7GPa～8GPa时与Ge类似，在高于6．8GPa压力时与Si类似。同时还研究了自旋轨道耦合作用对合金能带结构的影响。     

压裂水平井地层压力分布特点研究

利用源汇函数对压裂水平井不稳定渗流数学模型进行了求解,获得了各裂缝间距、裂缝半长、导流能力等参数均可不同条件下的复杂压裂水平井地层的压力分布计算公式,绘制了压裂水平井地层压力分布剖面图,并分析了地层压力分布规律。研究表明,压裂水平井地层压力分布主要受到裂缝半长、裂缝间距等因素的影响;裂缝间距越小,等压线分布越密集,裂缝间距越大,等压线越稀疏;裂缝长度越小,压力波及范围越小,而裂缝越长压力波及的区域则越大。     

船用柴油机阻燃式防爆阀的压力降分析

提出一种阻燃式防爆阀的压力降分析方法.通过分析阻燃式防爆阀的结构和工作原理，建立了数值分析模型.借助计算流体力学技术，分析了不同的入口温度和入口压力对阀内压力分布的影响.结果显示，入口温度对阀内压力分布的影响不大，入口压力对阀内的压力分布有影响.拟合不同入口压力时基本单元截面的压力值，得到各截面的压力与入口压力、基本单元数的函数关系.该函数关系能够有效地反映阀内的压力降趋势，计算出各基本单元截面的压力值，从而可以指导具体的阻燃式防爆阀的设计.     

非晶态Cu-Ni合金的分子动力学模拟

采用Quantum Sutton-Chen势对Cu-Ni合金在不同配料成分,不同冷却速率和不同系统压力下的微结构相变进行了分子动力学模拟研究.研究结果显示:Cu-Ni之间共价作用强烈,配位数一定时,冷却速率对非晶形成影响不大;5×102 K/ps的冷却速率下,合金中Ni含量低于50%时,压力范围在(0～6 GPa)和(10～11 GPa)时形成非晶,Ni含量高于66.66%时压力范围在(7～11 GPa)时形成非晶,Ni含量在50%-66.66%时,压力除了在9 GPa附近时均可形成非晶,为过渡情形.     

冲击-斜波加载下锆的动力学特性

本文基于磁驱动装置CQ-4完成了冲击-斜波加载实验设计,开展了金属锆在不同加载条件下先冲击再斜波压缩新热力学路径下的动力学特性研究.实验结果显示,加载压力峰值约为25 GPa,三个样品的波剖面结构依次为弹塑性转变、冲击波和斜波压缩,当冲击加载压力在相变压力附近约10 GPa时可以获取含有明显相变特征的速度波剖面,而冲击压力在20 GPa时冲击波覆盖相变波,速度波剖面无法观测到10 GPa附近的双波结构.加载压力峰值约为44 GPa,速度波剖面无弹塑性转变和相变特征为单波结构.结合多相状态方程和非平衡相变速率方程对锆的冲击-斜波压缩过程进行了数值模拟,计算与实验结果吻合良好,可以较好地模拟锆的冲击-斜波压缩实验过程.     

Fe3O4的高压电学性质

基于金刚石对顶砧（DAC）上的原位电阻率测量技术, 测量Fe₃O₄粉末在高压下的电阻率及磁阻率, 得到了样品电阻率随压力的变化关系. 当压力大于或小于6 GPa时, 电阻率随压力的增加均呈下降趋势, 但减小的速率不同; 当压力小于6 GPa时, 样品呈正的磁阻效应; [JP2]当压力大于6 GPa时, 样品呈负的磁阻效应.  结果表明Fe₃O₄的微观结构在6 GPa发生变化.     

高压下石墨超硬相的电阻率测量

采用高压下精确的原位电阻率测量技术,利用高浓度硼掺杂的金刚石薄膜制备微电路,在0～34 GPa测量石墨的电阻率随压力的变化规律.结果表明:在第一和第二个压力循环中,石墨超硬相电阻率不连续变化,分别出现在15.1 GPa和17.9 GPa;相存在的最低压力为8 GPa.     

锰铜压力传感器在水下爆炸近场压力测量中的应用

为得到柱状炸药水中爆炸冲击波在几百MPa到几个GPa峰压范围内的压力峰值分布,同时弥补其它类型传感器在上述范围内量程不足、精度不够或实验成本过高的不足,在对比距离小于0.3的范围内利用大阻值(R=50 Ω)锰铜压力传感器,测量了不同距离及装药量下的冲击波峰值压力. 结果表明,该型锰铜压力传感器测得的峰值压力与经验公式的计算结果接近,且测量精度、抗干扰能力达到设计要求,能够运用于水下爆炸近场冲击波压力几百MPa到几个GPa范围内的测量.     

立方氧化锆压腔下冰VI-VII相变的Raman散射光谱研究

295K和1.1～3.3GPa条件下,通过冰VI-VII的OH伸缩振动Raman光谱分析,对压力与冰VI-VII结构的关系进行了研究.可以看出:(i)在1.1～1.7GPa范围内,OH的伸缩振动频率随压力升高而降低,d v 1 /d p=-66.66cm -1 ·GPa -1 ;(ii)压力为2.1GPa时,OH的伸缩振动明显向高频方向移动;(iii)随着压力进一步增大(2.1～3.3GPa),OH的伸缩振动再次向低频方向移动,d v 1 /d p=-22.5cm -1 ·GPa -1 .这是由于压力升高导致d OH 增大造成的;而压力为2.1GPa时,OH的伸缩振动频率的突变则是冰VI-VII相变的结果.此外,根据冰VII的X衍射数据,发现d OO 与压力存在以下经验公式:d OO =0.0014P 2 -0.042P+3.0028.     

Effect of sintering temperature on phase evolution of Al_(86)Ni_6Y_(4.5)Co_2La_(1.5) bulk amorphous composites synthesized via mechanical alloying and spark plasma sintering

Al_(86)Ni_6Y_(4.5)Co_2La_(1.5) amorphous powders were synthesized by mechanical alloying for 200 h. Subsequent consolidation was performed via spark plasma sintering in the temperature range of 250 ℃ to 500 ℃ at the pressure of 500 MPa. The role of viscous flow on densification was investigated by studying the viscosity change of the amorphous phase at different consolidation temperatures. The decrease in viscosity at higher sintering temperatures resulted in better particle bonding and densification of consolidated samples. The formation of only FCC Al was observed in the consolidated samples at sintering temperatures ≤ 300 ℃ and the intermetallic phases formed at temperatures ≥ 400 ℃. The mechanical properties of the bulk samples were measured by Vickers microhardness and nanoindentation tests. The testing results showed that the average values of microhardness, nanohardness and elastic modulus of the sample consolidated at 500 ℃ were 3.06 ± 0.14 GPa,4.85 ± 1.14 GPa and 89.53 ± 9.25 GPa, respectively. The increase in hardness and elastic modulus of the higher temperature consolidated samples is attributed to the improvement in particle bonding, densification and distribution of various hard intermetallic phases in the amorphous matrix.     

Stable structure of Zr_(49)Cu_(44)Al_7 metallic glass matrix composite with CuZr phase under high pressure up to 40.8 GPa

Ternary Zr49Cu44Al7 metallic glass matrix composite rods with CuZr nano-phase,exhibiting an elastic strain of 1.6% and a high strength of 1.78 GPa,have been manufactured. The structural evaluation of the ternary metallic glass matrix composite under high pressure has been investigated using angle dispersive X-ray diffraction with a synchrotron radiation source. The investigation shows that the amorphous matrix structure is stable under pressures up to 40.8 GPa at room temperature. No pressure induced CuZr n...     

Stable structure of Zr49Cu44Al7 metallic glass matrix composite with CuZr phase under high pressure up to 40.8 GPa

Ternary Zr₄₉Cu₄₄Al₇ metallic glass matrix composite rods with CuZr nano-phase, exhibiting an elastic strain of 1.6% and a high strength of 1.78 GPa, have been manufactured. The structural evaluation of the ternary metallic glass matrix composite under high pressure has been investigated using angle dispersive X-ray diffraction with a synchrotron radiation source. The investigation shows that the amorphous matrix structure is stable under pressures up to 40.8 GPa at room temperature. No pressure induced CuZr nano-phase disappearing or growing was detected. According to the Bridgeman equation of state, the bulk modulus B ₀ =115.2 GPa has been obtained.     

An early extrasolar planetary system revealed by planetesimal belts in beta Pictoris

beta Pictoris (beta Pic) is a main-sequence star with an edge-on dust disk that might represent a state of the early Solar System. The dust does not seem to be a remnant from the original protoplanetary disk, but rather is thought to have been generated from large bodies like planetesimals and/or comets. The history and composition of the parent bodies can therefore be revealed by determining the spatial distribution, grain size, composition and crystallinity of the dust through high-resolution mid-infrared observations. Here we report that the sub-micrometre amorphous silicate grains around beta Pic have peaks in their distribution around 6, 16 and 30 au (1 au is the Sun-Earth distance), whereas the crystalline and micrometre-sized amorphous silicate grains are concentrated in the disk centre. As sub-micrometre grains are blown quickly out from the system by radiation pressure from the central star, the peaks indicate the locations of ongoing dust replenishment, which originates from ring-like distributions of planetesimals or 'planetesimal belts'.     

Pressure-induced amorphization and an amorphous-amorphous transition in densified porous silicon.

Crystalline and amorphous forms of silicon are the principal materials used for solid-state electronics and photovoltaics technologies. Silicon is therefore a well-studied material, although new structures and properties are still being discovered. Compression of bulk silicon, which is tetrahedrally coordinated at atmospheric pressure, results in a transition to octahedrally coordinated metallic phases. In compressed nanocrystalline Si particles, the initial diamond structure persists to higher pressure than for bulk material, before transforming to high-density crystals. Here we report compression experiments on films of porous Si, which contains nanometre-sized domains of diamond-structured material. At pressures larger than 10 GPa we observed pressure-induced amorphization. Furthermore, we find from Raman spectroscopy measurements that the high-density amorphous form obtained by this process transforms to low-density amorphous silicon upon decompression. This amorphous-amorphous transition is remarkably similar to that reported previously for water, which suggests an underlying transition between a high-density and a low-density liquid phase in supercooled Si (refs 10, 14, 15). The Si melting temperature decreases with increasing pressure, and the crystalline semiconductor melts to a metallic liquid with average coordination approximately 5 (ref. 16).     

重载条件下线接触弹流问题的数值分析

提出了等温线接触弹流问题的完全数值解，通过逆解迭代计算方法，获得了不同工况条件下的油膜压力分布、油膜厚度和油膜形状。在计算过程中引入变形矩阵计算弹性变形，利用变形逆阵修正压力分布，都取得了令人满意的效果。提出的计算方法适于求解在工程实践中常遇到的重载线接触问题，所得到的计算结果中最大Ｈｅｒｔｚ接触应力与 润滑油的压粘系数之积为３８．９３。结论与Ｄｏｗｓｏｎ等人的理论是基本—致的。     

预测井筒压力及温度分布的机理模型

基于质量、动量、能量守恒原理及传热学理论 ,建立了预测井筒流体压力、温度分布的综合数学模型 ,采用四阶龙格库塔法迭代求解 ,可同时预测井筒中的压力和温度分布 .给出了实例 ,以井底温度为基准分别按线性模型和机理模型求出了井筒内温度分布 ,并对二者进行了比较 .比较结果表明机理模型更符合实际 .同时可以看出 ,按两个模型求出的井口温度存在较大差异     

悬臂弧形挑篷脉动风压的概率特征

通过对体育场典型悬臂弧形挑篷模型的测压风洞试验,研究挑篷表面脉动风压的概率分布形式,确定威布尔分布较适合描述挑篷表面脉动风压的概率分布形式,总结出设定偏移量和形状参数及特征参数之间简单的线性关系,三参数的威布尔分布可以用设定偏移量这一单参数来表述.在此基础上确定了适用于挑篷表面最不利风荷载统计的峰值因子取值范围.     

柱面壳体表面风压分布特性风洞试验研究

基于刚性模型的风洞试验，在不同风攻角及场地条件下，对考虑不同长跨比的柱面壳体表面风压分布进行了同步测量-根据测量结果对壳体表面风压场特性进行了分析，包括风压系数、整体风力系数、脉动风压自功率谱及互功率谱、风压场本征正交分解特性、雷诺数对壳体表面风压分布的影响等．结果表明，此类曲面模型表面风压分布受雷诺数影响明显，且模型曲面特性使得风场本征正交分解的前几阶特征模态对整个风压分布的贡献增大．     

聚丙交脂-乙交酯纤维的温压成形

通过溶液沉析纺丝法制备聚丙交酯-乙交酯(PLGA)纤维,观察纤维的形貌并对其进行XRD和SEM表征.采用纤维温压成形法控制压力和温度得到条形的PLGA材料结合试样断口分析,研究成型压力与温度对PLGA材料的力学性能的影响.研究结果表明:非晶多孔结构的PLGA纤维可通过溶液沉析纺丝的方法获得,其孔径为0.1～ 1.0 μm;压制压力和压制温度对材料的力学性能影响较大,材料的抗弯强度、剪切强度和抗弯模量均随着温度和压力的增大而先增大后降低;在压制压力为105 MPa,压制温度为160 ℃时,试样的力学性能比较理想,此时,其抗弯强度可达到187.3 MPa,剪切强度达到100.1 MPa,抗弯模量达到2.5 GPa,可望作为非承重部位骨折愈合内固定材料.