Pd基非晶合金动态弛豫机制和应力松弛行为

作为潜在的功能及结构材料,高熵非晶合金在凝聚态物理和力学领域引起广泛的研究兴趣.高熵非晶合金宏观力学性能与微观结构非均匀性之间的关联是当前重要的科学问题之一.本文选取非晶形成能力良好的Pd_42.5Cu₃₀Ni_7.5P₂₀非晶合金和Pd₂₀Pt₂₀Cu₂₀Ni₂₀P₂₀高熵非晶合金作为模型体系,借助于动态弛豫行为及应力松弛实验建立了温度和物理时效对非晶合金高温变形机制与微观结构非均匀性之间的关联.研究结果表明Pd基非晶合金表现出“肩膀峰”β弛豫形式.玻璃转变温度以下物理时效非晶合金体系原子移动性导致β弛豫肩膀峰往更高的温度迁移.在应力松弛过程中,由于高构型熵的引入降低吉布斯自由能,这是高熵非晶合金具有较高激活能的原因.高熵非晶合金更难被激活,需要突破更高的能量势垒.物理时效时间增加,高熵非晶合金流变单元更小,这也得益于多主元高熵非晶合金慢扩散效应.高熵非晶合金激活体积的改变在物理时效下应力松弛...     

非晶合金中的流变单元

非晶合金是一类具有诸多优异性能的先进金属材料,同时也是研究非晶态物质的模型体系.最近,大量的实验和模拟证据显示,在非晶合金中可能存在类似晶体中缺陷的"流变单元",这些动力学单元和非晶合金的的流变、物理、力学性能密切关联.本文主要综述了流变单元提出的背景、实验证据、流变单元的特征、激活与演化过程、相互作用以及相关的理论.文中提供了大量实验证据证明流变单元模型不仅可以帮助理解非晶态物质中如形变、玻璃转变、弛豫动力学以及非晶结构和性能的关系等重要的基本物理问题,而且可以指导非晶合金性能的调控和设计,获得性能优异的非晶合金材料.     

钆含量对Fe-B-Nb-Gd非晶合金磁学性能和氧化机制的影响规律

研究了Gd含量对(Fe₇₃B₂₂Nb₅)_100-xGd_x(x=0,0.5,1.0,1.5,2.0)合金非晶形成能力、热稳定性和磁学性能的影响规律,并对比分析了非晶氧化机制.通过添加Gd元素,合金的原子尺寸差超过13%,构型熵增大了30%,提升了合金的非晶形成能力.随着Gd含量的增大,过冷液相区范围达到73 K,热稳定性得到明显增强.Gd元素导致合金局部各向异性受到限制,准位错偶极子型缺陷密度降低.这有效减少了阻碍磁畴壁旋转的钉扎位点,提高合金软磁性能.此外,Gd元素使得非晶在氧化过程中对温度的变化更为敏感,达到最大氧化速率的温度降低了15 K,但是并未恶化其抗氧化性能.Gd原子受结合能影响向表层迁移,形成的富Gd氧化物填充了表层缺陷,占据了大量顶部空间,合金表面附近的结构更加致密.这种结构减少了氧原子通过微观组织界面进行扩散的通道,有助于增强抗氧化性能.     

非晶合金结构演变影响玻璃形成能力的分子动力学研究

通过分子动力学方法模拟了Ti75Al25、Ni50Zr50和Cu50Zr50非晶合金的玻璃转变过程, 得到并分析了平均原子体积和双体分布函数等结构参数, 并应用Voronoi多面体指数分析法统计了玻璃转变过程中二十面体及类二十面体团簇的数量, 通过分析团簇在玻璃转变过程中种类和数量的涨落趋势, 研究了非晶原子由短程序连接至中程序再至长程无序的动力学演化过程. 结果表明, 非晶合金的玻璃形成能力以及塑性变形能力与动力学演化过程中Voronoi团簇的种类和数量密切相关. 在玻璃转变过程中局部五次对称性高的团簇倾向于连接在一起形成链,从而密排整个空间, 降低系统的动力学行为从而提高玻璃形成能力. 塑性形变倾向于发生在局部五次对称性较低的区域. 在玻璃转变温度附近团簇种类和数量的突变反映出非晶合金的自组织临界行为, 蕴含着丰富的非线性动力学现象.     

新型多组元大块非晶合金材料的发现与研究进展

叙述了新一代多组元新型大块非晶合金材料的制备方法、优异的物理性能、应用前景及在基础研究方面的意义．对这类大块非晶合金的极强的非晶形成能力的原因和形成机制进行了探讨．对这一研究领域的最新进展作了较详细的介绍．     

非晶物质中的临界现象

非晶态材料有着复杂的原子结构(短程有序、长程无序)和特殊的物理性质,其临界现象和相变问题一直受到学术界关注.非晶合金,又称为金属玻璃,是一种新型的非晶态材料,具有很高的强度和优异的弹性.从微观的角度来看,非晶合金可以看作是一个多粒子系统.临界现象的研究对认识和理解多粒子系统之间的相互作用有深刻的意义.本文主要讨论非晶合金中的临界现象,包括非晶合金从制备过程、微观结构到宏观的力学性能以及磁性方面存在的临界现象,并分析这些临界现象之间的内在联系,进而深入理解非晶合金的微观结构对其宏观性质的影响.这为认识非晶合金的形成本质,提高服役可靠性,探索具有实际应用价值的非晶合金提供理论依据.     

La基非晶合金β弛豫行为:退火和加载应变的影响

β弛豫行为是理解非晶合金扩散、塑性变形和玻璃转变行为的重要切入口.本研究以具有显著β弛豫行为的(La_0.6Ce_0.4)₆₅Al₁₀Co₂₅非晶合金为研究载体,利用动态力学分析仪,研究了加载频率、退火以及加载应变等因素对非晶合金β弛豫行为的影响.结果表明,随着加载频率的升高,非晶合金β弛豫峰向高温段移动.低于玻璃转变温度退火导致非晶合金β弛豫峰内耗值降低,非晶合金“缺陷”浓度降低,玻璃体系向更稳定状态迁移.随加载应变幅值增大,非晶合金β弛豫强度增大.本研究为进一步厘清非晶合金β弛豫起源提供新思路.     

非晶塑性变形机理研究新进展

非晶合金的塑性变形机理一直是材料科学和凝聚态物理研究的热点问题之一.文章简单介绍了近来中国科学院物理研究所在非晶合金塑性机理研究方面的最新进展,介绍了玻璃转变和塑性变形机制之间的关联性及最新的实验证据,以及从非平衡态统计力学角度对非晶塑性变形机制的理解,指出非晶合金的塑性和剪切带的动力学状态密切相关,发现韧性非晶合金在变形过程中可以演化到自组织临界状态.这对认识非晶合金的形成本质,探索具有实际应用价值的非晶合金具有重要意义.     

基于成分连续变化计算黏度的合金系临界冷速模型

在大块非晶临界冷却速率的非等温转变计算模型基础上提出了基于成分连续变化计算黏度的合金系临界冷速模型. 依据此模型对Zr-Ni-Al-Cu四元合金的临界冷却速率进行了计算并预测了Zr_66.67(Ni_{xAlyCuz)33.33合金系中容易形成非晶的成分范围. 计算值与实验值符合得较好. 计算结果表明，此合金系具有很强的非晶形成能力，特别是在靠近共晶点的中心区域，临界冷却速率小于100 K/s，为容易形成非晶的成分范围. 冷却过程中，在高于1000K温度区间，没有发生明显的结晶现象，而在980 K至870 K温度范围内，结晶分数快速增大，低于870 K时不再发生明显改变. 此外，分析了合金系中Al，Cu，Ni原子摩尔分数的变化对临界冷速的影响. 关键词： 大块非晶 黏度 临界冷却速率 非晶形成能力}     

铀基非晶合金的发展现状

铀基非晶合金是非晶家族中的特殊成员,受限于铀元素的高活性与放射性特点,目前这类非晶材料的研究极不充分.本文结合非晶合金的最新发展动态简要介绍了铀基非晶发展历史,较系统地总结了本团队的最新铀基非晶研究工作:首先较详细地介绍了新型铀基非晶的制备技术、成分体系、形成规律与晶化行为,澄清了其形成机制与热稳定性;结合高分辨电镜分析展示了其微观结构特点;采用纳米压痕技术揭示了这类非晶的微纳力学性能;利用电化学测试方法评估了其耐腐蚀性能.这些结果丰富了非晶材料的内涵,有助于深化对非晶物理基础科学问题的理解,并推动新型铀合金材料的发展,为这种材料的潜在工程应用奠定了基础.     

Ti-Zr-Be-Fe quaternary bulk metallic glasses designed by Fe alloying

A series of Ti-Zr-Be-Fe bulk metallic glasses(BMGs)with good glass-forming ability(GFA)and high specific strength have been developed.With different alloying routes and content of Fe,it is found that these alloys exhibit different GFA and mechanical properties.The effects of Fe addition on the GFA and mechanical properties of Ti-Zr-Be alloy are systemically investigated.The possible mechanisms for the improvement or damage to the GFA by addition of Fe can be interpreted in view of the mixing enthalpy,atomic size differences and electronegativity differences of the alloys,while the mechanical properties strongly depend on the Poisson’s ratio and free volume concentration.The experimental results also show that alloying technology is an effective method to improve the GFA and mechanical properties of Ti-Zr-Be glassy alloy.     

Ab initio molecular dynamics study on the local structures in Ce_(70)Al_(30) and La_(70)Al_(30) metallic glasses

Ab initio molecular dynamics simulations were performed to investigate the effect of similar elements on the shortto medium-range atomic packing features in Ce_(70)Al_(30) and La_(70)Al_(30) glass-forming alloys. 4 f electrons of Ce element in Ce_(70)Al_(30) alloy were properly treated in electronic calculations. The local atomic structures in both alloys are qualitatively similar. However, the local environments of Al atoms in Ce_(70)Al_(30) alloy show fluctuation with temperature in the cooling process, which could result from 4 f electrons of Ce elements. Surprisingly, the medium-range atomic packing features of Al atoms in both MGs are quite different, although Ce and La elements are similar. These findings are useful for understanding the enhanced glass-forming ability by similar element substitution in RE-based MGs from a medium-range structure perspective.     

Thermal conductivity of an alloy in relation to the observed cooling rate and glass-forming ability

The glass-forming ability (GFA) of an alloy in this case is the largest diameter of a rod which can be cast fully glassy. The present work shows that the thermal conductivity of a liquid alloy has a strong effect on GFA by influencing the cooling rate upon mould casting. The initial cooling rates (for the first 70–100?K of temperature decrease), obtained for Cu-, Zr- and Au-based bulk glass-forming alloys in the liquid state, are found to scale linearly with the thermal conductivities of the liquid base elements. However the low cooling rate found for Ni-based alloy suggests that the heat transfer at the melt–mould interface may also influence the cooling rate. The low thermal conductivity of Ni-based alloys and the correspondingly low cooling rate obtained compared to Cu-based counterparts explains their lower GFA. In the literature, many factors influencing the GFA of alloys have been discussed. To these factors, the present study adds the thermal conductivity of the molten alloy and the melt–mould heat-transfer coefficient. Moreover, the cooling rate depends on temperature and, thus, the critical cooling rate itself is not a suitable parameter for indicating GFA. The cooling can be better described by an appropriate fitting of the cooling curve to an exponential temperature decay function.     

非晶态合金与氢相互作用的研究进展

非晶态合金在力学性能、耐磨耐蚀性、磁性等方面比传统晶态合金具有显著优势,是一类有优良应用前景的新型结构与功能材料.非晶态合金与氢相互作用可以产生很多有趣的物理化学现象和应用.本文从物理基础和材料应用两个方面评述非晶态合金和氢相互作用的研究进展,在物理基础研究方面,从氢在非晶态合金中的存在状态出发,讨论氢在非晶态合金中的溶解、分布、占位和扩散等相关物理问题,进而分析氢对非晶态合金的热稳定性、磁性、内耗、氢脆等的影响.在材料应用研究方面,对非晶态储氢合金、非晶态合金氢功能膜、吸氢改善非晶态合金的塑性和玻璃形成能力、氢致非晶化、利用非晶态合金制备纳米储氢材料等方面的研究进展进行评述.最后总结并展望有关非晶态合金与氢相互作用的研究和应用.     

FeSiBP bulk metallic glasses with high magnetization and excellent magnetic softness

Fe-based amorphous alloy ribbons are one of the major soft magnetic materials, because of their superior magnetic properties such as the relatively high saturation magnetization (J_s) of 1.5–1.6 T and good magnetic softness. However, the preparation of the ordinary amorphous magnetic alloys requires cooling rates higher than 10⁴ K/s due to the low glass-forming ability (GFA) and thus restricts the material outer shape. Recently, Fe-metalloid-based bulk metallic glasses (BMGs) containing glass-forming elements such as Al, Ga, Nb, Mo, Y and so forth have been developed. These alloys have high GFA, leading to the formation of BMG rod with diameters of mm-order. However, the glass-forming metal elements in BMGs result in a remarkable decrease in magnetization. Basically, J_s depends on Fe content; hence, high J_s requires high Fe content in the Fe-based amorphous alloys or BMGs. On the other hand, high GFA requires a large amount of glass-forming elements in the alloys, which results in lower Fe content. Therefore, in substances, the coexistence of high J_s and high GFA is difficult. Since this matter should be immensely important from academia to industry in the material field, a great deal of effort has been devoted; however, it has remained unsolved for many years. In this paper, we present a novel Fe-rich FeSiBP BMG with high J_s of 1.51 T comparable to the ordinary Fe–Si–B amorphous alloy now in practical use as well as with high GFA leading to a rod-shaped specimen of 2.5 mm in diameter, obtained by Cu-mold casting in air.     

高熵合金短程有序现象的预测及其对结构的电子、磁性、力学性质的影响

如何有效预测高熵合金的稳态结构,是开展研究其物理及化学等性能的基础.以FeCuCrMnMo合金为例,在有限晶胞尺寸内,采用蒙特卡洛结合密度泛函理论杂化计算方法(Monte Carlo/density functional theory,MC/DFT)预测高熵合金的平衡态结构.与准随机近似方法(special quasirandom structures,SQS)不同,该方法不再追求高熵合金结构的理想随机状态,而是充分考虑合金中原子尺寸、混合焓、原子间相互作用等物理因素.通过第一性原理计算体系能量来实现,使得蒙特卡洛(Monte Carlo,MC)方法保证结构在原子交换过程中体系能量逐渐收敛于平衡态.最终预测得到的平衡态结构出现Cu原子的短程有序现象(short range order,SRO)与实验上合金中的Cu偏析现象相一致.相较于由SQS方法获得的随机状态,该SRO结构在能量上更加稳定.同时本文对稳态结构通过序参数及径向分布函数进行表征,并对SRO现象的出现进行物理解释,进一步揭示了SRO的出现对高熵合金结构性质的影响.     

Unusual glass-forming ability of bulk amorphous alloys based on ordinary metal copper

We report the unusual glass-forming ability (GFA) of a family of Cu-based alloys, Cu46Zr47-xAl7Yx (0相似文献   

An Experimental Study of Thermophysical Properties for Quinary High-Entropy NiFeCoCrCu/Al Alloys

Two quinary high-entropy alloys(HEAs) with equiatomic concentrations formed by doping either Cu or Al elements into the quaternary NiFeCoCr alloy are produced by arc melting and spray casting techniques.Their entropy of fusion,thermal expansion coefficient and thermal diffusivity are experimentally investigated with differential scanning calorimetry,dilatometry and laser flash methods.The NiFeCoCrCu HEAs contain a facecentered cubic high-entropy phase plus a minor interdendritic(Cu) phase and display a lower entropy of fusion and the Vickers hardness.The NiFeCoCrAl HEAs consist of two body-centered cubic high-entropy phases with coarse dendritic structures and show higher entropy of fusion and the Vickers hardness.Both the thermal expansion coefficient and the thermal diffusivity of the former Cu-doped alloy are significantly larger than those of the latter Al-doped alloy.Although the temperature dependence of thermal diffusivity is similar for both HEAs,it is peculiar that the thermal expansion curve of the NiFeCoCrAl alloy exhibits an inflexion at temperatures of860-912 K.     

A comparative study of the structure and crystallization of bulk metallic amorphous rod Pr60Ni30Al10 and melt-spun metallic amorphous ribbon Al87Ni10Pr3

Pr-based bulk metallic amorphous （BMA） rods （Pr60Ni30Al10） and Al-based amorphous ribbons （Al87Ni10Pr3） have been prepared by using copper mould casting and single roller melt-spun techniques, respectively. Thermal parameters deduced from differential scanning calorimeter （DSC） indicate that the glass-forming ability （GFA） of Pr60Ni30Al10 BMA rod is far higher than that of Al87Ni10Pr3 ribbon. A comparative study about the differences in structure between the two kinds of glass-forming alloys, superheated viscosity and crystallization are also made. Compared with the amorphous alloy Al87Ni10Pr3, the BMA alloy Pr60Ni30Al10 shows high thermal stability and large viscosity, small diffusivity at the same superheated temperatures. The results of x-Ray diffraction （XRD） and transmission electron microscope （TEM） show the pronounced difference in structure between the two amorphous alloys. Together with crystallization results, the main structure compositions of the amorphous samples are confirmed. It seems that the higher the GFA, the more topological type clusters in the Pr-Ni-Al amorphous alloys, the GFAs of the present glass-forming alloys are closely related to their structures.     

Zr基大块非晶中添加元素对非晶形成能力及耐蚀性的影响

运用实空间递归方法研究了添加元素Nb,Ta,Y,La对Zr基非晶合金的非晶形成能力和耐腐蚀性能的影响.用计算机编程构造了Zr基非晶中初始晶化相Zr₂Ni的原子结构模型,用Zr₂Ni中的二十面体原子团簇模拟非晶中的二十面体团簇.计算了替代二十面体中心或顶角位置原子前后Ni,Zr及合金元素的局域态密度、团簇中心Ni与近邻Zr原子及Ni与替代元素Nb,Ta,Y,La间的键级积分,还计算了合金元素替代前后团簇的费米能级.局域态密度计算结果表明：合金元素Cu占据二十面体团 关键词： 电子结构 Zr基大块非晶 非晶形成能力 耐蚀性