纳米晶粒在高压下的相变

文章报道了纳米晶粒的晶粒尺寸对压力诱导相变的影响的最新研究进展.采用热力学理论揭示了纳米晶体材料的相变压力与同种大块材料不同的主要因素是体积变化率、表面能差和内能差.通过估算这3个因素的具体大小,可解释文献中报道的实验结果,并且可以确定同种大块材料和纳米晶体材料之间的相变压力发生差异的控制因素.在纳米晶体材料中,晶粒尺寸对结构稳定性和相变压力的影响与体系本身有关.     

纳米晶粒在高压下的相转变

本文报道了晶粒尺寸对压力诱导相转变的最新进展。用热力学理论分析了造成纳米晶体材料 (纳米晶 )的相转变压力与同种大块材料不同的主要因素是体积变化比 ,表面能差和内能差。通过估算这三个因素的具体大小 ,可解释文献报道的实验结果 ,并可确定大块材料和纳米晶之间相转变压力发生差异的控制因素。在纳米晶中 ,晶粒尺寸对结构稳定性和相转变压力的影响与体系本身有关     

纳米晶粒在高压下的相转变

本文报道了晶粒尺寸对压力诱导相转变的最新进展。用热力学理论分析了造成纳米晶体材料（纳米晶）的相转变压力与同种大块材料不同的主要因素是体积变化比，表面能差和内能差。通过估算这三个因素的具体大小，可解释文献报道的实验结果，并可确定大块材料和纳米晶之间相转变压力发生差异的控制因素。在纳米晶中，晶粒尺寸对结构稳定性和相转变压力的影响与体系本身有关。     

CaF2纳米晶粒结构相变行为的尺寸依赖性（英文）

利用原位高压同步辐射X射线衍射方法,对尺寸为11 nm的CaF₂纳米晶粒进行高压结构相变和压缩特性研究。当压力为12 GPa时,观察到由萤石结构向α-PbCl₂结构转变的一次相变,该相变压力点远高于体材料,但略低于粒径更小的CaF₂纳米晶体。相比体材料,纳米尺寸的CaF₂样品的体弹模量更大,说明其更难被压缩。当压力释放至常压时,11 nm的CaF₂纳米晶粒的α-PbCl₂型亚稳相结构被保留下来,相变不可逆。分析了影响11 nm CaF₂纳米晶粒独特高压行为的原因,判定尺寸效应为主要因素,该尺寸下较高的表面能导致结构稳定性增强和体积模量增加。     

纳米尺寸的ZnO晶体高压相变的拉曼散射研究(英文)

Weperformedthehigh-pressureRaman measurementofthethreenanosizedZnOcrystals. Wefoundthesmallerthesize,thehigherthe pressuretoinducethephasetransitionfrom w櫣rzitetorock-saltstructure. High-pressureRamanmeasurementsof nona-shapedZnOcrystalswerepreformed.The…     

平面冲击波作用下TiO_2晶粒的相变纳米化

利用平面冲击波技术,对溶胶-凝胶法制备的锐钛矿型TiO2粉体和干凝胶进行冲击实验,采用X射线衍射(XRD)、透射电镜(SEM)和激光粒度分析仪(LPSA)等手段对冲击前后的TiO2粉体和干凝胶进行表征。结果表明:冲击波的高温作用能够实现亚稳态的锐钛矿型TiO2向稳定态的金红石型TiO2转变,并且冲击波直接作用于干凝胶时更容易获得稳定态的金红石型TiO2;冲击波的瞬时性可以抑制TiO2晶粒的长大,实现晶粒纳米化;冲击波的高压作用可以有效控制由于溶胶-凝胶法导致的粉体团聚现象。     

冷轧低碳钢高压相变组织的透射电镜分析

 对冷轧低碳钢在高压下进行再结晶,用透射电子显微镜（TEM）分析高压相变组织,发现压力可以使再结晶晶粒细化;压力升高,具有体心立方结构的普通低碳钢可形成ε-马氏体,并根据电子衍射花样的计算确定ε-马氏体的晶格参数。     

纳米晶Si在高压下的电学性质与金属化相变

 在金刚石压砧装置上,采用电阻和电容测量方法,研究了粒径为15~18 nm和80 nm的纳米晶Si在室温下、24 GPa内的电阻、电容与压力的关系。实验结果表明,它们分别在19~17 GPa和14 GPa左右发生了金属化相变。     

金刚石表面纳米尺度水分子的相变观测

水是自然界中最重要的物质之一,研究界面或受限体系的水分子动力学具有重要的科学意义.近些年新兴的基于氮-空位(NV)色心的纳米磁共振技术可以同时观测纳米尺度的核磁信号和温度.本文利用单个NV色心成功探测到金刚石表面纳米尺度水分子分别在固态和液态条件下的核磁信号,并通过改变温度成功观测到该纳米尺度水层的固-液相变.实验结果表明,基于NV色心的核磁共振技术可以有效地探测纳米尺度物质的结构和动力学行为,为纳米尺度受限体系相关科学的研究提供新的探测手段.     

复合型锶铁氧体纳米晶粒的改性研究

利用X光衍射和透射电子显微技术,对粒子Fe₃O₄-SrFe₁₂O₁₉的复合机理进行了研究.弄清了尖晶石型外延包裹层的生长机理.证实了外延层和内核粒子通过电子交换产生了很强的耦合作用.经过改性之后,尖晶石型晶体层在SiFe₁₂O₁₉粒子表面得到良好的生长. 关键词：     

Pressure-induced phase transition and structural properties of CrO2

The structural properties and pressure-induced phase transitions of CrO₂ have been investigated using the pseudopotential plane-wave method based on the density functional theory (DFT). The rutile-type (P4₂/mnm), CaCl₂-type (Pnnm), pyrite-type (Pā3), and CaF₂-type (Fm-3m) phases of CrO₂ have been considered. The structural properties such as lattice parameters, bulk moduli and its pressure derivative are consistent with the available experimental data. The second-order phase-transition pressure of CrO₂ from the rutile phase to CaCl₂ phase is 10.9?GPa, which is in good agreement with the experimental result. The sequence of these phases is rutile-type?→?CaCl₂-type?→?pyrite-type?→?CaF₂-type with the phase-transition pressures 10.9, 23.9, and 144.5?GPa, respectively. The equation of state of different phases has also been presented. It is more difficult to compress with the increase of pressure for different phases of CrO₂.     

PbTiO3在压力下的异常相变和极强压电效应

运用第一性原理计算预言了在一纯化合物中可由压力诱导出顺序为四方晶－单斜体－菱形体－立方体的新的相变,而且存在有变形相界面.在相变区有可与在复杂的单晶固溶体压电材料,如人们期待在机电应用方面引起革命性变化的Pb(Mg1/3Nb2/3)O3-PbTiO3可比的,极大的介电和压电耦合常数.我们的结果表明变形相界面和巨压电效应并不需要内禀的无序,并打开了在简单系统中研究这一效应的可能性.     

PbTiO3在压力下的异常相变和极强压电效应

运用第一性原理计算预言了在一纯化合物中可由压力诱导出顺序为叫方晶-单斜体-菱形体-立方体的新的相变，而且存在有变形相界面。在相变区有可与在复杂的单晶固溶体压电材料，如人们期待在机电应用方面引起革命性变化的Pb（Mg1/3Nb2/3）O3-PbTiO3可比的，极大的介电和压电耦合常数。我们的结果表明变形相界面和巨压电效应并不需要内禀的无序，并打开了在简单系统中研究这一效应的可能性，     

Pressure-induced phase transition and stability of EuO and EuS with NaCl structure

We have predicted the phase transition pressures and corresponding relative volume changes of EuO and EuS having NaCl-type structure under high pressure using three-body interaction potential (TBIP) approach. In addition, the conditions for relative stability in terms of modified Born criterion has been checked. Our calculated results of phase transitions, volume collapses and elastic behaviour of these compounds are found to be close to the experimental results. This shows that the inclusion of three-body interaction effects makes the present model suitable for high pressure studies.      

Pressure-induced structural transformation in potassium stanichloride

Pressure-induced structural transformation in potassium stanichloride has been studied by x-ray diffraction at room temperature. The change in the diffraction pattern started at about a pressure of 15 kbar and continued upto 50 kbar. The pattern recorded at about 50 kbar could be indexed basing on an orthorhombic lattice, with lattice parametersa=7.32,b=7.02 andc=8.02 Å.     

Pressure-induced phase transition of wulfenite

The in-situ high-pressure structures of wulfenite have been investigated by means of angular dispersive X-ray diffraction with diamond anvil cell and synchrotron radiation. In the pressure up to 22.9 GPa, a pressure-induced scheelite-to-fergusonite transition is observed at about 10.6 GPa. The pressure dependence for the lattice parameters of wulfenite is reported, and the axial compression coefficients Ka₀=－1.36×10^－3 GPa^－1 and Kc₀= －2.78×10^－3 GPa^－1 are given. The room-temperature isothermal bulk modulus is also obtained by fitting the P-V data using the Murnaghan equation of state.

     

Pressure-induced phase transitions for goethite investigated by Raman spectroscopy and electrical conductivity

We reported two pressure-induced phase transitions of goethite up to ～35?GPa using a diamond anvil cell in conjunction with ac impendence spectroscopy, Raman spectra at room temperature. The first pressure-induced phase transition at ～7.0?GPa is manifested in noticeable changes in six Raman-active modes, two obvious splitting phenomena for the modes and the variations in the slope of conductivity. The second phase transition at ～20?GPa was characterized by an obviously drop in electrical conductivity and the noticeable changes in the Raman-active modes. The variations in activation energy with increasing pressure were also discussed to reveal the electrical properties of goethite at high pressure.