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.     

Microstructure and mechanical properties of a novel Zr-based bulk metallic glass composite

Zr48.5Cu46.5Al5 bulk metallic glass （BMG） composites with diameters of 3 and 4 mm were prepared through suction casting in an arc melting furnace by modulating the alloy composition around the monothetic BMG composition of the high glass forming ability. Microstructural characterization reveals that the composites contain micron-sized CuZr phase with martensite structure, as well as nano-sized Zr2Cu crystalline particles and Cu10Zr7 plate-like phase embedded in an amorphous matrix. Room temperature compression tests showed that the composites exhibited significant strain hardening and obvious plastic strain of 7.7% for 3 mm and 6.4% for 4 mm diameter samples, respectively.     

高压下ZrB3与NbB3力学性质的第一性原理研究

此文用密度泛函理论的赝势平面波方法的第一性原理研究了过渡金属化合物ZrB_3与NbB_3(m-AlB_2、OsB_3和MoB_3结构)在高压下的力学性质和电子结构特点,获得了在常压下,m-AlB_2是最稳定的结构,当压强升高到40GPa时发生相变,高压下最稳定是OsB_3结构.m-AlB_2-NbB_3具有最大的剪切模量204GPa,最高的德拜温度921K和最大的硬度值27.3GPa,属于潜在的超不可压缩材料.MoB_3-NbB_3、OsB_3-NbB_3和m-AlB_2-ZrB_3的硬度值分别达到了24.9GPa、22.6GPa和19.8GPa.它们的电子态主要是由M-4d态和B-2p态杂化叠加形成的,在费米能级处取值均不为零,故这些化合物都具有金属性等有益结果.     

Mechanical, deformation and fracture behaviors of bulk metallic glass composites reinforced by spherical B2 particles

Ti_(45)Cu_(40)Ni_7Zr_5Sn_(2.5)Si_(0.5) alloys were prepared under various cooling rate conditions during solidification.The alloys exhibited different volume fractions of B2 particles with 0～40 vol%in an amorphous matrix.Monolithic bulk metallic glass of 1 mm diameter showed no macroscopic plasticity and exhibited the typical vein patterns in a maximum shear stress plane on the fracture surface.However,a bulk metallic glass composite containing the B2 particles revealed obvious plasticity(～5.6%)with a remarkable work-hardening behavior that resulted from a stress-induced martensitic transformation of the B2 particles.Moreover,the composite displayed the complicated fracture morphologies containing of three types of fracture features.Through detailed investigations on the microstructural evolution,mechanical,deformation and fracture characteristics,the influence of B2 particle on overall behavior of the TiCu-based bulk metallic glass composites was elucidated.     

Transitions of amorphouscrystalline-amorphous in bulk metallic glass under HP and HT

In-situ SR-XRD measurements revealed that the crystallization process in Zr₄₁.2Ti₁₃.8Cu_12.5Ni₁₀Be_22.5 bulk metallic glass is significantly different from that in traditional glasses. Subsequent heating at 10 GPa converts the sample from amorphous phase into the metastable fcc phase and then leads to the fcc phase back to the amorphous phase, indicating that there exists ‘reversible’ phase transition phenomena in the material under high pressure and high temperature.     

Diamond synthesis from a system of chromium-carbide and Ni70Mn25Co5 alloy

In order to ascertain the mechanism of interaction between carbide and metallic catalyst and formation of diamond under high pressure and high temperature, and find a new method to synthesize diamond with special properties, it is necessary to investigate the reaction behavior of different carbides and metallic solvent_catalysts under high pressure and high temperature. A system of Cr-3C-2 powder and Ni 70Mn 25Co 5 alloy in weight ratio of 1∶6 was treated under 6 0 GPa and 1 500℃ for 20, 30 or 60 min respectively. X_ray diffraction of the samples indicated the Cr 3C 2 decomposed partially after high pressure and temperature treatment, and Cr 7C 3, Cr and diamond formed respectively. There was not any trace of graphite in the samples. The result suggested that the separated carbon atoms could form diamond directly without conversion process of graphite into diamond. The observation of SEI, WDX and EDX also showed that diamond crystals were synthesized in the system, which have perfect surfaces and shapes, with the average grain size of about 40 μm. The properties of the crystals are being investigated.     

Decompression-induced disorder to order phase transition in low-melting ionic liquid [OMIM][PF6]

In situ pressure-induced Raman spectral changes of 1-octyl-3-methyl imidazolium hexafluorophosphate （[OMIM][PF6]） have been investigated under the pressure up to 5.86 GPa at room temperature. The results indicated that [OMIM][PF6] experienced a phase transition at about 4.12 GPa during compression, and it was thought as a phase transition of liquid to a superpressurized glass. Upon decompression, from the obvious change of Raman spectra of [OMIM][PF6] at about 0.48 GPa, it could be inferred that a decompression-induced disorder to order phase transition in [OMIM][PF6] occurred. The phase behavior of [OMIM] [PF6] at low temperature under atmospheric pressure was also investigated in detail. The result showed that Raman spectra of [OMIM][PF6] varied slightly and no crystallization occurred upon cooling. These facts suggested that a disorder to order phase transition was induced by decompression in [OMIM][PF6], and [OMIM][PF6] served as a superpressurized glass under the pressure above 4.12 GPa, which was similar to the glassy state at low temperature.     

高压下XeF2结构稳定性及电子结构性质的理论研究

采用平面波赝势密度泛函理论方法研究了惰性气体化合物XeF2在0~80GPa压力范围内的结构性质,计算值与实验值相符合.根据我们计算得到的不同压力XeF_2的弹性常数,结合力学稳定性判据,证实XeF_2的I4/mmm结构在80GPa压力范围内是稳定的.计算了不同压力下XeF_2的带隙,发现带隙随着压力的增大而减小.当压力大于10GPa时,XeF_2的带隙随压力的增大近似呈线性减小趋势.表明随着压力的增大XeF_2晶体由绝缘体向半导体转变,且金属性越来越强.     

Synthesis,structure and mechanical properties of Zr-Cu-based bulk metallic glass composites

The unusual glass-forming ability (GFA) of the Zr₄₈Cu₃₆Ag₈Al₈ alloy and the high ductility of the Zr₄₈Cu₃₆Ag₈Al₈ metallic glass-matrix composites containing Ta powder were reported. The bulk metallic glass rod with a diameter of 25 mm was successfully synthesized using copper mold casting for the Zr₄₈Cu₃₆Ag₈Al₈ alloy. High GFA of this alloy was found to be related to a large supercooled liquid region and a quaternary eutectic point with low melting temperature. The bulk metallic glass matrix composites were prepared by introducing extra Ta particles into the Zr₄₈Cu₃₆Ag₈Al₈ melt. The composites consist of Ta particles homogenously distributed in the Zr₄₈Cu₃₆Al₈Ag₈ metallic glass matrix. The optimum content of Ta powder is 10at% for the composite with the highest plasticity, which shows a plastic strain of 31%.     

高压下Si的结构转变与弹性性质的第一性原理计算

利用基于密度泛函的第一性原理,计算了在压力作用下Si的结构相变和弹性性质。晶胞总能的计算结果表明,Si在11.7 GPa压力下发生了从立方金刚石结构（Si-Ⅰ）到四方结构（Si-Ⅱ）的转变。能带结构和态密度的计算结果显示,Si-Ⅰ是具有间接带隙的半导体,带隙为0.71 eV,Si-Ⅱ呈现金属的能带结构特性;Si-Ⅰ和Si-Ⅱ费米面附近的能带结构主要来自于2p电子的贡献。高压下Si-Ⅰ的弹性系数计算结果表明,弹性系数C11,C12和C44均随压力的增加呈现线性增大的规律。     

金属玻璃(Fe_55Ni_45)_78Si_8B_14的低温结构弛豫

使用Bordoni型仪器测量了Fe—Ni基金属玻璃在结构弛豫过程中内耗和模量的变化,详细地研究了在低于500K的低温阶段模量的变化。结果表明,结构弛豫对温度的特性可划分为两个阶段:低温结构弛豫,主要由TSRO控制;高温结构弛豫,主要由TSRO和CSRO控制。低温结构弛豫的激活能约为17kJ/mol。     

Structure properties for the superconductor MgCNi3 under high pressure with synchrotron radiation

The recent discovery of superconductivity at 39 K in the superconductor MgB2[1] shows that intermetallic compounds with simple structure types are worth serious reconsideration as sources of new superconducting mate-rials. Subsequent to this discovery, He et al. observed a new intermetallic superconductor MgCNi3[2] at about 8 K. The perovskite crystal structure for MgCNi3 is shown in Fig. 1, with the atomic positions: Mg: 1a (0,0,0), C: 1b (0.5,0.5,0.5) and Ni: 3c (0,0.5,0.5). This mater…     

下地幔深部压力条件下顽火辉石Perovskite(MgSiO3)的冲击诱导相变

最近的计算机模拟分析和静高压实验结果都证实了钙钛矿顽火辉石Perovsk ite(M g-S iO3)在下地幔条件下发生了后钙钛矿相变(post—perovsk ite)。通过对顽火辉石动态高压实验Hugon iot数据进行分析,结果发现Perovsk ite(M gS iO3)在冲击压力为120G pa时(相当于下地幔压力)密度发生了系统性跳跃,增大了1.5%,于是我们推测顽火辉石在冲击波实验中也可能出现后钙钛矿相变,进一步的分析得到在2500K和109GPa条件下的C lapeyron斜率为4.0±0.4M Pa/k,其值和最近所得到的静高压实验、分子动力学模拟以及地球物理观测所得到的数据有很好的一致性。     

镁铝尖晶石高压相变的理论计算

运用密度泛函(DFT)平面波赝势方法(PWP),计算了镁铝尖晶石三种物相的状态方程和热力学生成焓以及在0～50GPa高压范围内的力学性质.研究结果表明:利用状态方程得到的镁铝尖晶石转变为CF相和CT相的相变压强分别为26.79GPa和30.19GPa,与实验值误差分别为+0.79GPa和-11.81GPa;而利用热力学生成焓,在GGA近似下得到的CF相的相变压强为24.52GPa;LDA近似下CT相的相变压强为39.85GPa,与实验值误差为-1.48GPa和-2.15GPa.在对高压下镁铝尖晶石三种相结构的力学稳定性的分析发现,尖晶石相在压力超过30GPa时力学结构变得不稳定,而两个高压相在...     

Li3S和Li2S高压结构与超导电性的第一性原理计算

采用第一性原理方法研究Li₃S和Li₂S在0~50 GPa下的晶体结构、 电子性质与超导电性. 结果表明： 当压力高于16 GPa时, Li₃S由Li₂S和Li单质合成, 其高压相变序列为P6₃/m→P6₃/mmc→Pm-3m; Li₃S呈金属性, 但其电声相互作用较弱, 不是超导体; 预测的Li₂S的高压相变序列与已有结果相符, 在50 GPa下的Li₂S仍未实现金属化.     

飞秒激光辐照CuZr非晶合金损伤动力学研究

采用考虑了电子压强梯度的双温分子动力学方法,研究了纳米CuZr非晶合金薄膜在脉宽为100 fs,能量密度为0.08～0.16 J/cm~2的飞秒激光辐照下的烧蚀动力学过程.结果表明,低能量密度下,电子压强梯度对靶材的结构损伤过程影响很小.高能量密度下,电子压强梯度对靶材内部的电子温度和晶格温度演化场产生了显著的影响,CuZr非晶合金薄膜的结构存在皮秒量级的由电子压强梯度诱导的非热烧蚀过程,并且随着能流密度的增大,这一超快的非热烧蚀过程在时间尺度上会得到提前.     

氢在金属玻璃Fe_(39)Ni_(39)Si_8B_(12)Mn_2中的扩散及其对弹性模量的影响

用排水集气法分别测量了淬态和退火处理Fe_(39)Ni_(39)Si_8B_(12)Mn_2金属玻璃在室温附近不同温度下的氢的扩散系数,由此计算出扩散激活能。退火处理导致的结构弛豫均使频率因子D_0和激活能变小。测量了样品在弯曲振动模式下共振频率,发现氢可以降低金属玻璃的杨氏模量,且充氢后时效过程中共振频率随时间的变化规律和时效过程中样品含氢量的曲线相似,即由氢降低的杨氏模量和含氢量成正比。     

ZrCuAlMo大块非晶的制备及热稳定性研究

通过铜模吸铸法制备（Zr47Cu44Al9）100-xMox（x=0,1,2,3）大块非晶合金.利用X射线衍射、差热分析等,研究分析添加Mo对Zr47Cu44Al9合金非晶形成能力及热稳定性的影响.结果表明,Mo的添加量为2%时,合金具有最大的非晶形成能力,纯非晶试样的临界尺寸从4mm增大到6mm以上,8mm的样品只有微弱的衍射峰.Mo提高非晶形成能力的原因主要是抑制引起异质形核的CuZr相的析出与长大.利用Kissinger方法计算得到的其玻璃转变激活能Eg为278.57kJmol-1、晶化激活能Ex为392.46kJmol-1、晶化峰值的激活能Ep为376.97kJmol-1.与原合金相比,晶化激活能与晶化峰值激活能的数据都增大,说明Mo的添加不仅提高了原合金的非晶形成能力,同时也增强了合金的热稳定性.     

苯并噁嗪/环氧树脂基耐高温防火复合材料的制备与性能研究

采用无溶剂法合成了双酚A型苯并噁嗪树脂(BOZ),添加成碳剂后与环氧树脂共固化制备耐高温树脂基体,并用该树脂基体与玻璃纤维布制备了耐高温防火复合材料。表征了噁嗪树脂的结构以及噁嗪树脂与环氧树脂的固化特性,采用TG-DTA研究了固化体系的耐热性;对添加不同成碳剂的树脂基体及其复合材料在1000℃火焰中燃烧,研究了成碳剂对材料残碳率和碳层形貌的影响。结果表明,树脂基体分解放热峰的峰顶温度为670℃;当加入质量分数5%复配成碳剂时,树脂基体残碳率为68.83%;其玻璃纤维增强的复合材料在1000℃火焰中燃烧15min后残碳率为25.82%,碳层均匀附着在玻璃纤维表面,起到隔热和烧蚀作用,使复合材料具有良好的短效防火性。     

芳香型聚胺醚及其连续玻纤增强复合材料的性能研究

以双酚A二缩水甘油醚（DGEBA）和对甲氧基苯胺为单体制备了芳香型聚胺醚,并通过原位聚合的方法制备了连续玻纤增强热塑性聚胺醚（GF/PHAE）复合材料。研究了DGEBA/对甲氧基苯胺体系的反应特性、动态黏度、熔体流动速率（MFR）、耐热性及聚胺醚浇注体和GF/PHAE复合材料的力学性能,采用红外光谱法（FT-IR）对聚胺醚进行了结构分析,并借助SEM分析了GF/PHAE复合材料的断面形貌。研究结果表明：DGEBA/对甲氧基苯胺体系在25 ℃下放置85 min后黏度为2100 mPa•s,黏度较低有利于纤维的浸润;聚胺醚为可熔融的热塑性聚合物,反应时间5 h、反应温度140 ℃下制备的聚胺醚熔融指数较低为1.4 g/10min;聚胺醚的玻璃化转变温度（Tg）为86.7 ℃,起始分解温度为310.2 ℃;聚胺醚浇注体的弯曲强度126.9 MPa,弯曲模量10.2 GPa;当玻纤体积分数为59.3%时,GF/PHAE复合材料弯曲强度1327.2 MPa,弯曲模量21.8 GPa,层间剪切强度86.2 MPa;SEM断面分析表明聚胺醚对玻璃纤维具有良好的界面黏接。