Molecular dynamics studies on the local disordering of σ3 and σ11 grain boundaries in aluminium bicrystal

Molecular dynamics (MD) simulations using Morse interaction potential are performed in studies of [110] symmetrical tilt grain boundary (GB) structures with mis-orientation angles 50.5 degrees(Sigma 11), 129.5 degrees(Sigma 11), 70.5 degrees(Sigma 3) and 109.5 degrees(Sigma 3) at various tempratures. The GB structures are found to start local disordering at about 0.5T(m)(T-m is the melting point of aluminium) for 50.5 degrees(Sigma 11), 0.32T(m) for 129.5 degrees(Sigma 11) and 0.38T(m) for 70.5 degrees(Sigma 3), respectively. These results agree with conclusions deduced from the anelastic measurements. But, for twin-boundary structure 109.5 degrees(Sigma 3), this disordering has not been found even when temperature increases up to 0.9T(m).

溶液热历史对蛋白质晶体生长影响的内在原因研究

从溶液中聚集体的角度研究了溶液的热历史改变生长出的蛋白质晶体的数目和尺寸的内在原因.将在281和309 K下保存1 d的两组溶菌酶溶液按不同比例混合,加入沉淀剂生长晶体.随着高温溶液的比例增加,生长出的晶体数目减少,同时溶液中生长基元的尺寸增大.在5周内,采用动态光散射对281,293和309K三种温度下保存的溶菌酶溶液中聚集体的变化情况进行监测,发现溶液中均存在大小不同的两部分聚集体,称之为小聚集体与多聚体.前者的尺寸基本不随保存时间而变化,而后者尺寸随保存时间增加而减小,减小的速度与保存温度有关.多聚体的尺寸经过5周后和小聚集体基本相同.研究结果表明,处于无序聚集阶段的溶液的均一化程度和成核阶段生长基元的尺寸受到了溶液热历史的影响,并最终对晶体的数目产生影响.

On mechanical properties of metallic glass and its liquid vitrification characteristics

A systematic survey of the available data such as elastic constants, density, molar mass, and glass transition temperature of 45 metallic glasses is conducted. It is found that a critical strain controlling the onset of plastic deformation is material-independent. However, the correlation between elastic constants of solid glass and vitrification characteristics of its liquid does not follow a simple linear relation, and a characteristic volume, viz. molar volume, maybe relating to the characteristic size of a shear transformation zone (STZ), should be involved.

Photorefractive performance of a novel multifunctional inorganic-organic hybridized nanocomposite sensitized by CdS nanoparticles

A novel multifunctional inorganic-organic photorefractive (PR) poly(N-vinyl)-3-[p-nitrophenylazolcarbazolyl-CdS nanocomposites with different molar ratios of US to poly(N-vinyl)-3-[p-nitrophenylazo]carbazolyl (PVNPAK) were synthesized via a postazo-coupling reaction and chemically hybridized approach, respectively. The nanocomposites are highly soluble and could be obtained as film-forming materials with appreciably high molecular weights and low glass transition temperature (T,) due to the flexible spacers. The PVNPAK matrix possesses a highest-occupied molecular orbital value of about -5.36 eV determined from cyclic voltammetry. Second harmonic generation (SHG) could be observed in PVNPAK film without any poling procedure and 4.7 pm/V of effective second-order nonlinear optical susceptibility is obtained. The US particles as photosensitizers had a nanoscale size in PVNPAK adopting transmission electron microscopy. The improvement of interface quality between US and polymer matrix is responsible for efficient photoinduced charge generation efficiency in the nanocomposites. An asymmetric optical energy exchange between two beams on the polymer composites PVNPAK-CdS/ECZ has been found even without an external field in two-beam coupling (TBC) experiment, and the TBC gain and diffraction efficiency of 14.26 cm(-1) and 3.4% for PVNPAK-5-CdS/ECZ, 16.43 cm(-1) and 4.4% for PVNPAK-15-CdS/ECZ were measured at a 647.1 nm wavelength, respectively.

Study of polymer thermal and mechanical properties using a fiber Bragg grating thermal sensor

A simple and practical method for the study of polymer thermal and mechanical properties using a fiber Bragg grating (FBG) sensor is presented for the first time, in which the FBG is embedded in a typical epoxy polymer. By measuring the sensitivity change of the FBG sensor, changes of the thermal-mechanical properties of the polymer with temperature and pressure can be measured. The experimental results show that this technique is capable of providing continuous in-line monitoring such properties with high sensitivity during transformation between the glassy state and the rubbery state of a polymer within the temperature and pressure range of 20 to 180 C and 0 to 15 MPa. (c) 2007 Society of Photo-Optical Instrumentation Engineers.

Study of polymer thermal and mechanical properties using a fiber Bragg grating thermal sensor

A simple and practical method for the study of polymer thermal and mechanical properties using a fiber Bragg grating (FBG) sensor is presented for the first time, in which the FBG is embedded in a typical epoxy polymer. By measuring the sensitivity change of the FBG sensor, changes of the thermal-mechanical properties of the polymer with temperature and pressure can be measured. The experimental results show that this technique is capable of providing continuous in-line monitoring such properties with high sensitivity during transformation between the glassy state and the rubbery state of a polymer within the temperature and pressure range of 20 to 180 C and 0 to 15 MPa. (c) 2007 Society of Photo-Optical Instrumentation Engineers.

掺铒碲酸盐玻璃的热力学稳定性和光谱性质的研究

分析了掺Er^3+碲酸盐玻璃的热力学稳定性能，研究了掺Er^3+碲酸盐玻璃的吸收和荧光光谱性质；应用Judd-Ofelt理论计算了碲酸盐玻璃中Er^3+离子的强度参数Ω(Ω2=4．79×10^-20cm^2,Ω4=1．52×10^-20cm^2，Ω6=0．66×10^-20cm^2)，计算了离子的自发跃迁几率，荧光分支比；应用McCumber理论计算了Er^3+的受激发射截面(σe=10．40×10^-21cm^2)、Er^3+离子^4I13／2→^4I15／2发射谱的荧光半高宽(FWHM=65．5nm)

掺铒碲钨酸盐玻璃及其平面波导

研制了一种用于宽带波导放大器的掺铒碲钨酸盐激光玻璃材料，对玻璃热稳定性、光谱性质进行了表征，并在其上采用离子交换法制作了平面光波导．掺铒碲钨酸盐玻璃的转变温度Tg和析品开始温度Tx分别为377．1和488．5℃；荧光半高宽为52nm；应用McCumber理论，计算得出Er^3+离子4I13／2→^4I15／2跃迁在峰值波长1532nm的受激发射截面为0．91×10^-20cm^2．不同条件下制作了在632．8nm处多模的平面光波导，通过拟合得到Ag^+离子在300℃的有效扩散系数De为2．82×10^-1

混合碱效应对磷酸盐包边玻璃性质的影响

高功率大尺寸激光玻璃硬包边技术对于提高激光玻璃的饱和增益系数具有非常重要的价值。本文采用传统的玻璃熔制方法，研究了Li-Na混合碱效应对磷酸盐包边玻璃折射率、热膨胀系数α、玻璃转变温度Tg、膨胀软化温度Td以及溶解速率（DR）的影响规律。研究结果表明：当Li/(Li+Na)=0.5时，Tg、Td和DR取得极小值，表明混合碱效应既能降低包边玻璃的转变温度，又能提高包边玻璃的化学稳定性，这些性质对于包边玻璃的设计是非常可贵的。

Formation, thermal, optical and physical properties of GeS2-Ga2S3-AgCl novel chalcohalide glasses

Novel GeS2-Ga2S3-AgCl chalcohalide glasses had been prepared by melt-quenching technique, and the glass-forming region was determined by XRD, which indicated that the maximum of dissolvable AgCl was up to 65 mol%. Thermal and optical properties of the glasses were studied by differential scanning calorimetry (DSC) and Visible-IR transmission, which showed that most of GeS2-Ga2S3-AgCl glasses had strong glass-forming ability and broad region of transmission (about 0.45-12.5 mu m). With the addition of AgCl, the glass transition temperature, Tg decreases distinctly, and the short-wavelength cut-off edge (lambda(vis)) of the glasses also shifts to the long wavelength gradually. However, the glass-forming ability of the glass has a complicated evolutional trend depended on the compositional change. In addition, the values of the Vickers microhardness, H (v) , which decrease with the addition of AgCl, are high enough for the practical applications. These excellent properties of GeS2-Ga2S3-AgCl glasses make them potentially applied in the optoelectronic field, such as all-optical switch, etc.

Stability against crystallization and spectroscopic properties of Tm3+ doped fluorophosphate glasses

Fluorophosphate glasses with various content of Al(PO3)(3) were prepared. With the increment of Al(PO3)(3) content, density decreases while refractive index increases, and transition temperature, crystallization peak temperature and melt temperature increase which were suggested by differential scanning calorimetry. These glasses exhibit the best stability against crystallization with 7-9 mol'Yo Al(PO3)(3) content. Normalized Raman spectra were used to analyze structure and phonon state. The increment of Al(PO3)(3) content does not affect phonon energy but results in the augment of phonon density. Absorption spectra were measured. H-3(6) -> F-3(4) transition exhibits absorption at L band of the third communication window. Compared with the energy of Tm3+ excited states in other glass system, F-3(4) energy of Tm3+ in these glasses is considerable higher and H-3(4) energy is considerable lower, and it can be predicted that emission band of H-3(4) -> F-3(4) transition is close to the amplified band of gain-shift Tm3+ doped fiber amplifier. Analyses of Judd-Ofelt theory suggest when Al(PO3)(3) content is no more than 7 mol%, Judd-Ofelt parameters Omega(t) and the lifetime of H-3(4) energy level of TM3+ vary little with the increment of Al(PO3)(3) content, and when Al(PO3)(3) content is more than 7 mol%, Omega(2) and Omega(6) increase and radiative lifetime of H-3(4) energy level of Tm3+ drops sharply with the increment of Al(PO3)(3) content. (c) 2006 Elsevier B.V. All rights reserved.

不同氧磷比对磷酸盐包边玻璃性质的影响规律

包边技术是提高大尺寸激光玻璃饱和增益系数的关键技术。采用传统的方法熔制玻璃,研究了 P2O5含量对 P2O5-Al2O3-B2O3-CuCl-Na2O-ZnO磷酸盐包边玻璃的折射率、热膨胀系数、玻璃转变温度、膨胀软化温度以及化学稳定性的影响。结果表明：当 P2O5的摩尔分数为 60%左右,玻璃样品具有最高的折射率（1.522 0）、最低的玻璃转变温度（352.4 ℃）、较好的化学稳定性[0.52 mg/（cm^2·d）]和适宜的热膨胀系数（128.427×10^-7/℃）,是用作钕磷酸盐激光玻璃硬包边的理

Structure and thermal stability of novel fluorophosphate glasses

A systematic investigation on glass formation in the PbF2-InF3-BaHPO4 ternary system has been carried out. These glasses have characterized by IR spectra, Raman spectra and differential thermal analysis. The results show that the structure of these glasses is mainly affected by BaHPO4 and InF3 contents. With decreasing BaHPO4 content, the glass structure gradually transforms from metaphosphate to polyphosphate. When InF3 content is low, it mainly acts as network modifier, when its content is high; it enters glass matrix and forms In(O,F)(6) groups connecting the polymerized phosphorus oxygen species. PbF2 mainly acts as network modifier in this system. Systematic variations of the glass transition temperature and the thermal stability index agree well with these results. The most stable glass with Delta T = 230 degrees C and S = 21.79 K is obtained. (c) 2004 Elsevier B.V. All rights reserved.

Physical and thermal properties of P2O5-Al2O3-BaO-La2O3 glasses

The physical and thermal properties Of P2O5-Al2O3-BaO-La2O3 glasses were investigated. The effects of glass compositions on the transition temperature, thermal expansion coefficient, density, hardness and refractive index of glasses were studied. The highest hardness of the glasses is 4143.891 MPa and the lowest thermal expansion coefficient of the glasses is 71.770 x 10(-7)/° C. A phosphate glass with high mechanical strength and good thermal characteristic is obtained.

The spectroscopic properties of Er3(+)-doped TeO2-Nb2O5 glasses with high mechanical strength performance

(100 - x)TeO2 - xNb(2)O(5) (x=5-20) mobic tellurite glasses doped with 0.5 mol.% Er2O3 were synthesized, and their thermal, mechanical, and spectroscopic properties were measured and compared to the properties of the typical 75TeO(2)-20ZnO-5Na(2)O (TZN) tellurite glass. The refractive index (n(d)), density (p), and glass transition temperature (T-g) of bulk glasses increase with the Nb2O5 content. The Vickers microhardness (H-v) of bulk glass in niobic tellurite glasses also increases with the Nb2O5 content. The values (2.5-3.2 GPa) of H, in the niobic tellurite glasses are 47-88% larger than that (1.7 GPa) in TZN glass. The effect of Nb2O5 content on absorption spectra, the Judd-Ofelt parameters Omega(t) (t = 2, 4, 6), fluorescence spectra and the lifetimes of Er3+ :I-13/2 level were also investigated, and the stimulated emission crosssection was calculated from McCumber theory. With increasing Nb2O5 content in the glass composition, the Omega(t) (t = 2, 4, 6) parameters, fluorescence full width at half maximum (FWHM) Of I-13/2 of Er3+ increase, while the I-4(13/2) lifetimes of Er3+ decreases. Compared with TZN glass, the gain bandwidth properties of Er3+-doped TeO2-Nb2O5 glass is much larger than in tellurite glass based TeO2-ZnO-Na2O system, bismush-based glass, germanate, and silicate glasses, which indicates that TeO2-Nb2O5 glasses are better choice as a practical available host material for broadband Er3+-doped amplifier. (c) 2005 Elsevier B.V. All rights reserved.