高温高密度氦流体物态方程

用二级轻气炮作为冲击压缩加载手段和多通道瞬态辐射高温计作为主要测量工具, 测量了冲击压缩下氦气(初始温度293 K, 初始压力为0.6, 1.2和5.0 MPa)的Hugoniot曲线和高达15000 K的冲击温度. 发现用Saha方程和Debye- Hückel修正模型计算初始压力为5 MPa的氦气物态方程与实验数据有较好的符合程度. 理论计算的氦气(初始压力P₀ = 5.0 MPa, 初始温度T₀ = 293 K)在低压条件下冲击波速度与粒子速度关系D = C₀ + λu (u<10 km/s, λ = 1.32)与Nellis液氦实验数据拟合的D-u曲线近似平行(λ = 1.36), 这表明氦流体的Hugoniot参数λ不依赖于初始密度ρ₀;当冲击温度约大于18000 K(冲击压缩氦气电离度达到10^-3量级)后, 气氦D-u曲线很快过渡到λ = 1.2另外一条曲线, 达到了压缩氦气的极限值.     

地球内核的动力学理论及章动效应

 地球固体内核与其其余部分之间的引力和压力的耦合作用将引起一内力矩,内核通过这一力矩影响岩石圈相对惯性空间的定向.讨论了一个弹性无海洋、球形分层的内核地球章动理论,将内核的作用明确地反映在公式中.并依据Mathews et al的内核地球动力学理论,讨论了归一化章动振幅的Mathews形式和Wahr形式的应用;通过PREM地球模型检测了内核对章动振幅的影响,由此发现本文的结果与Mathews et al的结果存在一定的差异,但都在亚毫角秒量级上影响主要的圆章动项.     

地球有颗火热的“心”

最新研究发现,地球有一颗火热的"心",内核温度比以往测量值高1000℃,与太阳表面一样热。这更好地解释了地球是如何产生磁场的。地球拥有一个固态内核,为液态外核所包围,再往外是     

地球中心的温度是如何测量的

正人在生病量体温时,会把体温计放入口中或夹在腋窝中。那么,在测量巨大的地球的中心温度时,是使用什么方法进行的?1.挖到地球内部进行测量2.利用人造卫星进行测量3.通过地球内核的组成物质进行推测4.通过火山爆发时喷出的熔岩进行推测     

δ-搀杂GaAs/AlAs多量子阱中铍受主远红外吸收研究

报道了在GaAs中均匀搀杂和一系列GaAs/AlAs多量子阱中d-搀杂浅受主杂质铍(Be)原子带内跃迁的远红外吸收研究. 在4.2 K温度下实验测量的远红外吸收谱中清楚地观察到了三条主要的浅受主带内跃迁吸收线, 它们分别来源于铍受主基态到它的三个奇宇称激发态的跃迁. 应用变分原理, 我们计算了量子限制铍受主2p激发态到1s基态跃迁能量随量子阱宽度的变化关系. 通过比较发现, 2p_z→1s跃迁能量理论计算符合类-D吸收线的实验结果.     

用中国资料进一步约束地球最内核的各向异性

基于中国地震台网记录的发生于南美的4个地震事件数据,利用穿过内核并在内外核边界反射的PKIIKP波与直接穿过内核的PKIKP波的到时差,研究地球最内核的速度结构.通过比较PKIIKP-PKIKP波的观测到时差与理论到时差,进一步确认地球最内核的慢轴并不是沿着赤道平面,而是与赤道平面呈一定夹角,为地球内核物理性质和结构研究提供了新的证据.     

Y2Fe17-xCrx的结构和居里温度

利用准第一原理原子间相互作用势对Y₂Fe_17-xCr_x的结构进行了原子级模拟. 并研究了Cr原子在Y₂Fe₁₇结构中的择优占位行为, 结果表明Cr原子择优占据4f,12j晶位. 在Cr原子择优代位的基础上, 详细计算了Y₂Fe_17-xCr_x的晶体结构, 原子晶位和晶格常数, 这些都与实验结果吻合很好. 进一步计算了弛豫结构的态密度, 并利用自旋波理论对居里温度的先升后降的行为进行定性解释. 上述结果表明了第一原理原子间相互作用势在研究此类化合物的有效性.     

光晶格势阱中Bose-Einstein凝聚临界温度和凝聚比例

研究了光晶格势场中Bose-Einstein凝聚的临界温度和凝聚比率. 结果表明光晶格势场中临界温度可以用在一个晶格中的等效凝聚温度来表征. 结果可用于纯光阱囚禁的Bose-Einstein凝聚的临界温度和凝聚比例的快速计算. 对于一般势阱深度, 一个晶格中临界温度可以用等效临界温度来估算; q个晶格中的临界温度正比于q^-3/2; 对于深势阱, 任意q个晶格中的临界温度应为一个晶格中的临界温度. 提出了势阱深度或拉比频率的标准和每个晶格中装载的原子数目的极限.     

地核物质的状态方程和参数

 解释了3种地核物质状态方程的异同,验证了Vinet et al. EOS(equation of state)比Shanker et al.EOS更接近Stacy EOS的结论,后者与高压极限的热动力学一致、而且与来源于地震波的数据完全匹配;同时与地震波测量数据进行了对照;给出了内核边界压力下物质摩尔体积随温度的变化函数,预言了密度亏损的温度变化.这对于揭示地球深部物质特性、研究地核内的轻物质组分以及深部动力学原理具有重要意义.     

PLD法在透明石英单晶(100)上制备高取向KTN薄膜

Sol-Gel法制备KTN多晶粉末, 在富氧气氛下烧结富钾KTN陶瓷, 代替KTN单晶作为靶材, 用PLD技术在透明石英单晶(100)基片上制备高取向透明KTN薄膜.受石英单晶热应力限制, 沉积时基片温度为300&#730;C, 远低于在P-Si(100)制备时的基片温度560℃. XRD分析表明, 所制薄膜为非晶态, 通过提高脉冲激光能量密度结合后期退火的方法使非晶态薄膜转化为晶态, 最佳激光能量密度和退火温度分别为2.0J/cm²和600&#730;C. 探讨了PLD技术在低衬底温度下成膜的机理, 分析退火温度对薄膜钙钛矿相形成和晶粒取向的影响, 给出透明石英单晶(100)基片上制备高取向KTN薄膜的最佳工艺.     

Thermal and electrical conductivity of iron at Earth's core conditions

The Earth acts as a gigantic heat engine driven by the decay of radiogenic isotopes and slow cooling, which gives rise to plate tectonics, volcanoes and mountain building. Another key product is the geomagnetic field, generated in the liquid iron core by a dynamo running on heat released by cooling and freezing (as the solid inner core grows), and on chemical convection (due to light elements expelled from the liquid on freezing). The power supplied to the geodynamo, measured by the heat flux across the core-mantle boundary (CMB), places constraints on Earth's evolution. Estimates of CMB heat flux depend on properties of iron mixtures under the extreme pressure and temperature conditions in the core, most critically on the thermal and electrical conductivities. These quantities remain poorly known because of inherent experimental and theoretical difficulties. Here we use density functional theory to compute these conductivities in liquid iron mixtures at core conditions from first principles--unlike previous estimates, which relied on extrapolations. The mixtures of iron, oxygen, sulphur and silicon are taken from earlier work and fit the seismologically determined core density and inner-core boundary density jump. We find both conductivities to be two to three times higher than estimates in current use. The changes are so large that core thermal histories and power requirements need to be reassessed. New estimates indicate that the adiabatic heat flux is 15 to 16 terawatts at the CMB, higher than present estimates of CMB heat flux based on mantle convection; the top of the core must be thermally stratified and any convection in the upper core must be driven by chemical convection against the adverse thermal buoyancy or lateral variations in CMB heat flow. Power for the geodynamo is greatly restricted, and future models of mantle evolution will need to incorporate a high CMB heat flux and explain the recent formation of the inner core.     

Texturing of the Earth's inner core by Maxwell stresses.

Elastic anisotropy in the Earth's inner core has been attributed to a preferred lattice orientation, which may be acquired during solidification of the inner core or developed subsequent to solidification as a result of plastic deformation. But solidification texturing alone cannot explain the observed depth dependence of anisotropy, and previous suggestions for possible deformation processes have all relied on radial flow, which is inhibited by thermal and chemical stratification. Here we investigate the development of anisotropy as the inner core deforms plastically under the influence of electromagnetic (Maxwell) shear stresses. We estimate the flow caused by a representative magnetic field using polycrystal plasticity simulations for epsilon-iron, where the imposed deformation is accommodated by basal and prismatic slip. We find that individual grains in an initially random polycrystal become preferentially oriented with their c axes parallel to the equatorial plane. This pattern is accentuated if deformation is accompanied by recrystallization. Using the single-crystal elastic properties of epsilon-iron at core pressure and temperature, we average over the simulated orientation distribution to obtain a pattern of elastic anisotropy which is similar to that observed seismologically.     

Elasticity of iron at the temperature of the Earth's inner core.

Seismological body-wave and free-oscillation studies of the Earth's solid inner core have revealed that compressional waves traverse the inner core faster along near-polar paths than in the equatorial plane. Studies have also documented local deviations from this first-order pattern of anisotropy on length scales ranging from 1 to 1,000 km (refs 3, 4). These observations, together with reports of the differential rotation of the inner core, have generated considerable interest in the physical state and dynamics of the inner core, and in the structure and elasticity of its main constituent, iron, at appropriate conditions of pressure and temperature. Here we report first-principles calculations of the structure and elasticity of dense hexagonal close-packed (h.c.p.) iron at high temperatures. We find that the axial ratio c/a of h.c.p. iron increases substantially with increasing temperature, reaching a value of nearly 1.7 at a temperature of 5,700 K, where aggregate bulk and shear moduli match those of the inner core. As a consequence of the increasing c/a ratio, we have found that the single-crystal longitudinal anisotropy of h.c.p. iron at high temperature has the opposite sense from that at low temperature. By combining our results with a simple model of polycrystalline texture in the inner core, in which basal planes are partially aligned with the rotation axis, we can account for seismological observations of inner-core anisotropy.     

冷却水管表面合金化球墨铸铁冷却壁的热应力和热变形

为了满足高炉长寿的需要,开发了一种具有高冷却性能的铸铁冷却壁. 利用热态实验数据确定了合金化管铸铁冷却壁温度场数值模拟的边界条件,采用ANSYS软件和热-结构耦合的方法分析炉温、渣皮和边缘接触压力对高温状态下铸铁冷却壁热应力及变形的影响,以便采取有效的措施降低铸铁冷却壁热应力,控制其变形. 根据球墨铸铁强度分析理论提出评价长寿铸铁冷却壁冷却能力的新概念--高周热负荷.     

YbB6晶体结构、物态方程、弹性和热学性质的第一性原理计算

基于第一性原理的密度泛函理论及准谐德拜模型, 研究了YbB6的晶体结构、状态方程(EOS)、弹性性质和热学性质. 计算得到的YbB6晶体晶格常数、体弹模量、弹性常数和实验符合得很好. 状态方程的研究结果显示, 压强和温度对YbB6晶体体积的影响都非常显著, 在高温和低压下, 压强对YbB6晶体体积的影响比在低温和低压大. 在讨论的压强和温度范围内, 压强对YbB6晶体的体弹模量的影响要比温度的影响大. 弹性常数及与弹性相关量的计算结果显示, 在零温零压下, YbB6晶体结构是稳定的, 具有延展性, 是中心力场固体. 计算的定压、定体热容及热膨胀系数的结果表明, 压强对YbB6晶体的热容和热膨胀系数的影响比温度的影响小.     

黄铜矿MgGeP2的几何结构，弹性性质和热学性质的研究

利用第一性原理的密度泛函方法对MgGeP_2结构性质,弹性性质和热力学性质进行了系统的研究,得到了平衡态的晶格常数,能带带隙,弹性系数和其他相关的热力学参数.通过对结果进行理论分析发现:MgGeP_2在零压下属于直接带隙半导体,带隙值为1.522eV.而弹性性质计算说明MgGeP_2是各向异性且具有良好塑性的材料.在0~40GPa的压强和0~800K温度范围内,利用准谐德拜模型理论计算了热膨胀系数,热容CV和Cp,熵和德拜温度随压强和温度的变化趋势.     

Stability of the body-centred-cubic phase of iron in the Earth's inner core

Iron is thought to be the main constituent of the Earth's core, and considerable efforts have therefore been made to understand its properties at high pressure and temperature. While these efforts have expanded our knowledge of the iron phase diagram, there remain some significant inconsistencies, the most notable being the difference between the 'low' and 'high' melting curves. Here we report the results of molecular dynamics simulations of iron based on embedded atom models fitted to the results of two implementations of density functional theory. We tested two model approximations and found that both point to the stability of the body-centred-cubic (b.c.c.) iron phase at high temperature and pressure. Our calculated melting curve is in agreement with the 'high' melting curve, but our calculated phase boundary between the hexagonal close packed (h.c.p.) and b.c.c. iron phases is in good agreement with the 'low' melting curve. We suggest that the h.c.p.-b.c.c. transition was previously misinterpreted as a melting transition, similar to the case of xenon, and that the b.c.c. phase of iron is the stable phase in the Earth's inner core.     

层状半导体MoSe2/WSe2热学性能参数定量分析

利用键弛豫理论与局域键平均近似方法对过渡金属MoSe₂和WSe2的热学参数进行了定量分析,建立了热膨胀系数、晶格常数、热应变分别与温度的函数关系式,揭示了层状半导体材料热学参量的温度效应物理机制,并获得了块体MoSe2和WSe2的德拜温度分别为276,260 K.实验结果表明,热膨胀系数与德拜比热成正比,与原子结合能成反比;温度高于材料的德拜温度的1/3时,晶格常数、热应变与温度呈线性关系.     

氟化锂晶体热输运性质的理论研究

基于第一性原理理论求解玻尔兹曼运输方程的迭代解方法准确计算了氟化锂的晶格热导率.采用实空间有限差分超晶胞方法来计算二阶力常数和三阶的力常数.然后通过二阶力常数和三阶原子力常数计算氟化锂晶体的相关物理性质.结果表明,室温下氟化锂的晶格热导率为13.89W/(m·K),与实验结果一致,这表明这种计算方法可以准确得到这种材料的晶格热导率.