Instantaneous Creep in Face-centered Cubic Metals at Ultra- low Strain Rates by a High-resolution Strain Measurement

Instantaneous creep in face-centered cubic metals, 5N Al（99.999%）, 2N Al （99%） and 4N Cu （99.99%） with different grain sizes, was firstly investigated by sudden stress-change experiments at ultra- low strain rates ε ≤10-10 s-1 and temperature T 〈 0.32 Tn. The experimental results indicate that the observed instantaneous creep is strongly dependent on grain size, the concentration of impurity, and stacking fault energy. Creep in high-purity aluminum, 5N Al, with a very large grain size, d 〉 1600μm, shows non-viscous behavior, and is controlled by the recovery of dislocations in the boundary of dislocation cells. On the other hand, for 5N A1 with a small grain size, d=30μm, and low-purity aluminum, 2N A1, with d8= 25μm, creep shows viscous behavior and may be related to ＇low temperature grain boundary sliding＇. For high-purity copper, 4N Cu, with d= 40 grn and lower stacking fault energy, creep shows a non-viscous behavior, and is controlled by the recovery process of dislocations. For all of the samples, creep shows anelastic behavior.

Metastable face-centered cubic ruthenium-based binary alloy for efficient alkaline hydrogen oxidation electrocatalysis

Metastable nanostructured electrocatalyst with a completely different surface environment compared to conventional phase-based electrocatalyst often shows distinctive catalytic property.Although Ru-based electrocatalysts have been widely investigated toward hydrogen oxidation reaction(HOR)under alkaline electrolytes,these studies are mostly limited to conventional hexagonal-close-packed(hcp)phase,mainly arising from the lack of sufficient synthesis strategies.In this study,we report the precise synthesis of metastable binary RuW alloy with face-centered-cubic(fcc)phase.We find that the introduction of W can serve as fcc phase seeds and reduce the formation energy of metastable fcc-RuW alloy.Impressively,fcc-RuW exhibits remarkable alkaline HOR performance and stability with the activity of 0.67 mA cm_(Ru)^(-2)which is almost five and three times higher than that of hcp-Ru and commercial Pt/C,respectively,which is attributed to the optimized binding strength of adsorbed hydroxide intermediate derived from tailored electronic structure through W doping and phase engineering.Moreover,this strategy can also be applied to synthesize other metastable fcc-RuCr and fcc-RuMo alloys with enhanced HOR performances.

Mechanism transition of cross slip with stress and temperature in face-centered cubic metals

A<110>/2 screw dislocation is commonly dissociated into two <112>/6 Shockley partial dislocations on{111} planes in face-centered cubic metals.As the two partials are not purely screw,different mechanisms of cross-slip could take place,depending on the stacking fault energy,applied stress and tempe rature.It is crucial to classify the mechanisms of cross-slip because each mechanism possesses its own reaction path with a special activation process.In this work,molecular dynamics simulations have been performed systematically to explore the cross-slip mechanism under different stresses and temperatures in three different metals Ag,Cu and Ni that have different stacking fault energies of 17.8,44.4 and 126.8 mJ/m^2,re spectively.In Ag and Cu with low stacking fault energy,it is observed that the cross-slip mechanism of screw dislocations changes from the Fleischer obtuse angle(FLOA),to the Friedel-Escaig(FE),and then to the FL acute angle(FLAA) at low temperatures,with increasing the applied stress.However,when the temperature increases,the FE mechanism gradually becomes dominant,while the FLAA only occurs at the high stress region.In particular,the FLOA has not been observed in Ni because of its high stacking fault energy.

Effective Stacking Fault Energy in Face-Centered Cubic Metals

As a typical configuration in plastic deformations, dislocation arrays possess a large variation of the separation of the partial dislocation pairs in face-centered cubic（fcc） metals. This can be manifested conveniently by an effective stacking fault energy（SFE）. The effective SFE of dislocation arrays is described within the elastic theory of dislocations and verified by atomistic simulations. The atomistic modeling results reveal that the general formulae of the effective SFE can give a reasonably satisfactory prediction for all dislocation types, especially for edge dislocation arrays. Furthermore, the predicted variation of the effective SFE is consistent with several previous experiments, in which the measured SFE is not definite, changing with dislocation density. Our approach could provide better understandings of cross-slip and the competition between slip and twinning during plastic deformations in fcc metals.

Consistent Analytic Embedded Atom Potential for Face-Centered Cubic Metals and Alloys

A consistent empirical embedded-atom potential that includes a long range force was developed for fcc （face-centered cubic） metals and alloys. The proposed potential for pure metals does not require modification of the initial function form when being applied to alloy systems. The potential parameters of this model were determined by fitting lattice constant, three elastic constants, cohesive energy, and vacancy formation energies of the pure metals and the heats of solution of the binary alloys via an optimization technique. Parameters for Ag, AI, Au, Cu, Ni, Pd and Pt were obtained. The obtained parameters were used to calculate the bulk modulus, divacancy formation energy, crystal stability, stacking fault energy, vacancy migration energy, and melting point for each pure metal and the heats of formation and lattice constants for binary alloys. The predicted values were in good agreement with experimental results.

Metastable Face-Centered Cubic Structure and Structural Transition of Sn on 2H-NbSe2(0001)

Surface structures and properties of Sn islands grown on superconducting substrate 2H-NbSe2（0001）are studied using low temperature scanning tunneling microscopy or spectroscopy.The pure face-centered cubic（fee）structure of Sn surface is obtained.Superconductivity is also detected on the fcc-Sn（111）surface,and the size of superconducting gap on the Sn surface is nearly the same as that on the superconducting substrate.Furthermore,phase transition occurs from fcc-Sn（111）toβ-Sn（001）by keeping the sample at room temperature for a certain time.Due to the strain relaxation on theβ-Sn islands,both the in-plane unit cell and out-of-plane structures distort,and the height of surface atoms varies periodically to form a universal ripple structure.

Study on Ultra-Short Laser Pulse Ablation of Metals by Molecular Dynamics Simulation

The dynamical progresses involved in ultra-short laser pulse ablation of face-centered cubic metals under stress confinement condition are described completely using molecular dynamics method. The laser beam absorption and thermal energy turning into kinetics energy of. atoms are taken into account to give a detailed picture of laser metal interaction. Superheating phenomenon is observed, and the phase change from solid to liquid is characterized by a destroyed atom configuration and a decreased number density. The steep velocity gradients are found in the systems of Cu and Ni after pulse in consequence of located heating and exponential decrease of fluences following the Lambert-Beer expression. The shock wave velocities are predicted to be about 5 000 m/s in Cu and 7 200 m/s in Ni. The higher ablation rates are obtained from simulations compared with experimental data as a result of a well-defined crystalline surface irradiated by a single pulse. Simulation results show that the main mechanisms of ablation are evaporation and thermoelastic stress due to located heating.

ISOTROPIC YIELD BEHAVIORS OF BCC AND FCC METALS

Isotropic yield surfaces of bcc and fec metals have been simulated with TBH theory.Using the five-dimensional stress space proposed recently by Lequeu et al.,the yield subsurfaces on any two of the three shear stresses can be considered as the inscribed circles of their corresponding subsurfaces on n plane.Based on this concept,Hershey,Hosford and Hill (HHH) yield func- tion has been transformed into the formula where the parameters are uniquely determined by two crystallographic factors:the mean Taylor factor in plane strain (M_p) and the critical shear stress (τ_) on slip systems.

The criterion of anomalous slip at OK in body centered cubic metals

It is generally accepted that anomalous slip(AS) takes place by hexagonal dislocation networks(HDNs) in body centered cubic(BCC) metals,but the role of the HDN formation process in AS has rarely been investigated so far.In this work,the critical yield conditions of the HDNs and isolated dislocations were first calculated,respectively,by molecular statics simulations in two BCC metals.Based on these data,a novel mechanism,entitled as the "conjugated dislocation sources"(CDS),to analyze the formation of the HDNs was proposed for the first time and then incorporated into the criterion of the occurrence of AS.Our prediction is in agreement with experimental observations.Contrary to previous study,it has been revealed that the multiplication of isolated screw dislocations involved in AS has to be considered for correctly understanding the AS origin.

Dimpling Suppression by Chamfered Rotatable Cubic Punch in Reconfigurable Die Forming

The dimpling defects caused by conventional hemispherical punch in doubly curved sheet metal reconfigurable die forming process were considered.The rotatable cubic punch (RCP) was developed to suppress the dimpling defects more effectively and conveniently.The former punch contacts with the work-piece through a point-surface contact and the latter punch contacts with the work-piece through a surface-surface contact.A series of stamping experiments were carried out using three different punches (hemispherical punch,RCP,chamfered-RCP) with three different loads.Some finite element simulations about the stamping experiments were carried out.The dimple scales were evaluated through the dimple depths.The corresponding data were obtained by 3-D scanning and FE result analysis respectively.A 3-D plate forming machine was developed,in which chamfered-RCP was adopted.Plate forming experiments were carried out on this machine.The stamped samples show a clear basis for the performance of chamfered-RCP.The study provided a means to guide the design of punches for dimpling suppression used in reconfigurable die.

First-principles calculation of the structural,electronic,and magnetic properties of cubic perovskite RbXF3(X = Mn,V,Co,Fe)

First-principles calculations by means of the full-potential linearized augmented plane wave method using the generalized gradient approximation with correlation effect correction（GGA＋U） within the framework of spin polarized density functional theory（DFT＋U） are used to study the structural,electronic,and magnetic properties of cubic perovskite compounds RbXF3（X = Mn,V,Co,and Fe）.It is found that the calculated structural parameters,i.e.,lattice constant,bulk modulus,and its pressure derivative are in good agreement with the previous results.Our results reveal that the strong spin polarization of the 3d states of the X atoms is the origin of ferromagnetism in RbXF3.Cohesive energies and the magnetic moments of RbXF3 have also been calculated.The calculated electronic properties show the half-metallic nature of RbCoF3 and RbFeF3,making these materials suitable for spintronic applications.

Face-centered cubic structured RuCu hollow urchin-like nanospheres enable remarkable hydrogen evolution catalysis

Ruthenium(Ru)is one of the most promising metals for its versatility in driving a wide range of catalytic reactions.However,owing to the intrinsic preference of hexagonal close-packed(hcp)phase for bulk Ru,currently,it is still challenging to construct Ru-based nanomaterials with face-centered-cubic(fcc)phase for optimizing their performance towards potential applications.Herein,we report a facile wet-chemical method to directly create unconventional fcc-structured Ru-copper hollow urchin-like nanospheres(fcc-RuCu HUNSs)as a class of efficient pH-universal hydrogen evolution reaction(HER)electrocatalyst.Interestingly,this synthetic strategy can be expanded to prepare other fcc-Ru-based alloy nanomaterials.Significantly,the novel fcc-RuCu HUNSs exhibit superior HER performance with the overpotential of only 25,34,40,and 26 m V to reach the current density of 10 mA cm^(-2)in 0.5 M H_(2)SO_(4),0.05 M H_(2)SO_(4),0.1 M KOH,and 1 M KOH,respectively,much lower than those of hcpRuCu HUNSs and commercial Pt/C.Density functional theory(DFT)calculations further indicate that their excellent pH-universal HER performance results from the optimized adsorption free energy of H and work functions.Our work highlights the importance of phase control to design high-efficiency nanocatalysts for relevant catalytic reactions in energy conversion.

Direct observation of metastable face-centered cubic Sb2Te3 crystal

Although phase change memory technology has developed drastically in the past two decades, the cognition of the key switching materials still ignores an important member, the face-centered cubic Sb2Te3. Apart from the well-known equilibrium hexagonal Sb2Te3 crystal, we prove the metastable face-centered cubic Sb2Te3 phase does exist. Such a metastable crystal contains a large concentration of vacancies randomly occupying the cationic lattice sites. The face-centered cubic to hexagonal phase transformation of Sb2Te3, accompanied by vacancy aggregation, occurs at a quite lower temperature compared to that of Ge2Sb2Te5 alloy. We prove that the covalent-like bonds prevail in the metastable Sb2Te3 crystal, deviating from the ideal resonant features. If a proper doping technique is adopted, the metastable Sb2Te3 phase could be promising for realizing reversibly swift and low-energy phase change memory applications. Our study may offer a new insight into commercialized Ge-Sb-Te systems and help in the design of novel phase change materials to boost the performances of the phase change memorv device.

体心立方金属的变形孪生行为

变形孪生作为重要的塑性变形机制之一,与金属材料的力学性能密切相关。体心立方金属的晶体中存在非平面位错核和本征不稳定层错,导致其变形孪生行为偏离了传统变形孪生理论。从体心立方金属独特的变形行为出发,详细讨论了变形的微观原因及其与变形孪生之间的密切联系,总结了变形孪生模式及孪晶形核和长大模型的研究进展,讨论了变形孪生对力学性能的影响,最后指出了体心立方金属变形孪生行为今后的主要研究方向。

Li_2O和ZnO的相对含量对陶瓷结合剂及磨具性能的影响

通过差示扫描量热分析仪、线膨胀测试仪、扫描电镜等手段研究了Li2O和ZnO的相对含量对Li2O-ZnO-K2O-SiO2-Al2O3-B2O3体系结合剂及磨具性能的影响。结果发现,随着m(Li2O)∶m(ZnO)比值的减小,结合剂的软化点温度、耐火度先降低后升高,而结合剂的膨胀系数、流动性以及磨具的抗弯曲强度先增加后减小,结合剂的化学稳定性增强;当m(Li2O)∶m(ZnO)=2时,结合剂的耐火度为770℃,流动性为140.21%,线膨胀系数为6.4267×10-6K-1,化学稳定性好,该结合剂可以实现磨具的低温烧成,防止cBN磨料的高温侵蚀,高温下熔化完全、流动性好,对cBN磨粒的包裹性好,提高了磨具强度,其抗弯曲强度为62.37MPa。

钎焊立方氮化硼BCu80Ni5SnTi活性钎料的组织与性能

研制一种适合钎焊立方氮化硼与45钢异质材料的新型高温BCu80Ni5SnTi活性钎料,采用SEM、EDS及XRD对BCu80Ni5SnTi系活性钎料的微观组织及钎焊接头力学性能进行研究。结果表明:适合钎焊c-BN的活性钎料成分为Cu78～81Ni5～6Sn3～5.5Ti10～12(质量分数,%),固相线温度为858.4℃,液相线温度为874.8℃;钎料组织由α-Cu固溶体、Ni固溶体、Cu-Sn共晶及少量Cu4Ti3、Cu3Ti2、Cu3Sn、CuSn和Ni17Sn3等化合物组成;该钎料对c-BN的润湿性较好,润湿角为28°～30°,钎焊c-BN与45钢的接头强度为210～230MPa;新型钎料钎焊冶金特性较好,钎焊接头界面实现冶金结合。

自润滑金属结合剂CBN砂轮干式磨削特性分析

针对钛合金难磨削加工性,提出了自润滑金属结合剂砂轮,综合液相烧结与钎焊工艺制备了自润滑金属结合剂立方氮化硼(Cubic Boron Nitride,CBN)砂轮,分析了砂轮强度和微观组织,完成了自润滑CBN砂轮与碳化硅砂轮干式磨削钛合金的性能试验。通过砂轮磨损、工件表面形貌、金相显微组织和显微硬度等特性研究表明:自润滑CBN砂轮干式磨削钛合金切削性能明显优于绿色碳化硅砂轮,在vs=15m/s,vw=2m/min,ap=0.025mm磨削条件下,自润滑金属结合剂砂轮具有较好的磨削性能。

PCBN刀具干湿切削淬硬钢对比试验研究

通过PCBN刀具干、湿切削淬硬轴承钢GCr15对比试验,对两种条件下的切削力随刀具磨损的变化、刀具寿命及被加工工件表面粗糙度进行了对比。试验表明:干切削状态下金属软化效应占主导地位,湿切削可获得更好的表面粗糙度,切削液在刀具磨损后期开始发挥作用。

CuNiSnTi钎料钎焊立方氮化硼的焊接性与微观结构

研究了铜基活性钎料钎焊立方氮化硼的焊接性与微观结构,采用真空钎焊方法实现了CuNiSnTi活性钎料与c-BN的可靠连接。多元CuNiSnTi活性钎料对c-BN和基体钢都具有较好的润湿性能,提高钎焊温度可以改善活性钎料对c-BN的润湿性。在500℃时,CuNiSnTi活性钎料钎焊的c-BN超硬耐磨涂层仍具有极好的耐磨性能,与c-BN仍能保持较高的结合强度。采用SEM,XRD对界面观察和分析,并结合键参数理论的计算结果表明,CuNiSnTi活性钎料与c-BN发生冶金作用,形成了化合物型界面。

Ag基钎料钎焊立方氮化硼的焊接性与微观结构

在不同真空钎焊温度和保温时间条件下,研究了Ag基活性钎料钎焊立方氮化硼的焊接性与微观结构。试验结果表明:钎料中Ti的质量分数为12%、钎焊温度为950℃、保温时间为20 min时可实现Ag-Cu-Ti活性钎料与立方氮化硼的牢固连接。Ag-Cu-Ti活性钎料对c-BN的润湿性较好,界面结合紧密,并在界面处形成反应层。微观分析表明:钎焊过程中Ag-Cu-Ti合金钎料中的Ti向c-BN磨粒表面富集,并与c-BN磨粒表面N和B元素发生反应,形成TiN和TiB2,实现了Ag-Cu-Ti活性钎料与立方氮化硼磨粒的化学冶金结合。