First-principles study of carbon effects in a tungsten grain boundary:site preference, segregation and strengthening

First-principles calculations have been performed to investigate energetics and site preference of carbon (C) in a tungsten (W) 5(310)/[001] grain boundary (GB). We calculate the solution energies of the C atom in the GB, which show that the interstitial C is energetically favored over the substitutional C. The segregation energy is calculated to be 3.95 eV for the energetically favorable GB interstitial site, indicating that C energetically prefers to segregate into the W GB. Based on the Rice-Wang model, our total energy calculations show that C has a significant beneficial effect on the W GB cohesion.

Surface Cracking Behaviors of Ultra-Fine Grained Tungsten Under Edge Plasma Loading in the HT-7 Tokamak

Tests of the candidate plasma facing materials（PFMs） used in experimental fusion devices are essential due to the direct influence of in-situ plasma loading.A type of ultrafine grained（UFG） tungsten sintered by resistance sintering under ultra-high pressure（RSUHP） method has been exposed in the edge plasma of the HT-7 tokamak to investigate its performance under plasma loading.Under cychc edge plasma loading,the UFG tungsten develops both macro and micro cracks.The macro cracks are attributed to the low temperature brittleness of the tungsten material itself,while the micro cracks are generated from local intense power flux deposition.

Nucleation and growth of helium bubble at(110) twist grain boundaries in tungsten studied by molecular dynamics

Migration of He atoms and growth of He bubbles in high angle twist grain boundaries(HAGBs)in tungsten(W)are investigated by atomic simulation method.The energy and free volume(FV)of grain boundary(GB)are affected by the density and structure of dislocation patterns in GB.The migration energy of the He atom between the neighboring trapping sites depends on free volume along the migration path at grain boundary.The region of grain boundary around the He bubble forms an ordered crystal structure when He bubble grows at certain grain boundaries.The He atoms aggregate on the grain boundary plane to form a plate-shape configuration.Furthermore,high grain boundary energy(GBE)results in a large volume of He bubble.Thus,the nucleation and growth of He bubbles in twist grain boundaries depend on the energy of grain boundary,the dislocation patterns and the free volume related migration path on the grain boundary plane.

Tungsten carbide platelet-containing cemented carbide with yttrium containing dispersed phase

A fine and platelet tungsten carbide patterned structure with fine yttrium containing dispersed phase was observed in liquid phase sintered WC-20%Co-1%Y2O3 cemented carbide with ultrafine tungsten carbide and nano yttrium oxide as starting materials.By comparing the microstructures of the alloy prepared by hot-press at the temperature below the eutectic melting temperature and by conventional liquid phase sintering,it is shown that hexagonal and truncated trigonal plate-like WC grains are formed through the mechanism of dissolution-precipitation(recrystallization)at the stage of liquid phase sintering.Yttrium in the addition form of oxide exhibits good ability in inhibiting the discontinuous or inhomogeneous WC grain growth in the alloy at the stage of solid phase sintering.

Effect of trace tungsten on the microstructure of TiAl alloys containing Nb and B

New TiAl alloys, containing 45 at.% A1, 7 at.% Nb, x at.% W, and 0.15 at.% B （x = 0, 0.2, 0.4, and 0.7） were prepared by arc melting and drop casting consequently. Using optical microscopy, scanning electron microscopy （SEM）, and electron superprobe technologies, the effects of tungsten on the microstructural evolution of the TiA1 alloys, including the colony size and lamellar spacing, were analyzed. It was found that cellular structures and dendrites were formed in the as-cast TiA1 alloys, and heavy metals, such as niobium and tungsten, tend to segregate strongly at the interface of the cellular structures and dendrites. Trace tungsten can effectively impede the grain growth and narrow the interlamellar spacing. 0.4 at.% tungsten is more effective in refuting the microstructure of the TiAI alloys.

Crystal growth of tungsten during hydrogen reduction of tungsten oxide at high temperature

Crystal growth of tungsten during hydrogen reduction of tungsten oxide (WO3) to prepare coarse grain tungsten powder at high temperature (950 ℃) was studied. The phase composition and morphologies of products were investigated by means of XRD and SEM. The results show that the reduction sequence of hydrogen reduction of WO3 is WO3→WO2.9→W18O49→WO2→W. The step of WO2→W is the critical step which determines the grain size of tungsten powder. The partial pressure (pH2O/pH2) of H2O within powder layer shows strong effect on the nucleation and grain growth of tungsten. By increasing the pH2O/pH2 within powder layer, well-developed coarse grain tungsten powder with particle size above 15 μm is obtained. After carburizing, the powder can be used to produce ultra-coarse grain cemented carbide with grain size above 5 μm.

Reduction Process of Blue Tungsten Oxide and its Microcomputer Process Control

Grain size control of tungsten powder is essential for high quality tungsten products. Based on studies on the hydrogen reduction process of tungsten oxide, a microcomputer system is described for reduction process control. The system, now running in Zhuzhou Tungsten and Molybdenum Materials Plant, controls the temperature of the reduction furnace and hydrogen pressure. It also controls a mechanical pusher which pushs the boats charged with blue tungsten oxide into the furnace tubes. Some of the technical problems in the process are analysed.

Optimizing pulsed current gas tungsten arc welding parameters of AA6061 aluminium alloy using Hooke and Jeeves algorithm

Though the preferred welding process to weld aluminium alloy is frequently constant current gas tungsten arc welding (CCGTAW),it resulted in grain coarsening at the fusion zone and heat affected zone(HAZ).Hence,pulsed current gas tungsten arc welding(PCGTAW) was performed,to yield finer fusion zone grains,which leads to higher strength of AA6061 (Al-Mg-Si) aluminium alloy joints.In order to determine the most influential control factors which will yield minimum fusion zone grain size and maximum tensile strength of the joints,the traditional Hooke and Jeeves pattern search method was used.The experiments were carried out based on central composite design with 31 runs and an algorithm was developed to optimize the fusion zone grain size and the tensile strength of pulsed current gas tungsten arc welded AA6061 aluminium alloy joints.The results indicate that the peak current (Ip) and base current (IB) are the most significant parameters,to decide the fusion zone grain size and the tensile strength of the AA6061 aluminum alloy joints.

Molecular Dynamics Simulations of the Interactions Between Tungsten Dust and Beryllium Plasma-Facing Material

In the present research,molecular dynamics simulation is applied to study the interactions between tungsten dusts and a beryllium plasma-facing material surface.Calculation results show that it is quite difficult for nanometer-size dust particles to damage the plasma-facing material surface,which is different from the micrometer-size ones.The reason may be the size difference between dust and crystal grains.The depth of dust penetration into plasma-facing materials is closely related to the incident velocity,and the impacting angle also plays an important role.Dust and material surface damage is also investigated.Results show that both incident velocity and angle can significantly influence the damage.

Grain refinement of W-Ni-Fe heavy alloys by tantalum element adding

90W-7Ni-3Fe and (90-x)W-xTa-7Ni-3Fe (x=1,3,5,7,10) specimens were attained by liquid phase sintering. A model describing the process of liquid forming and spreading was proposed to point out the differences between alloys doped with tantalum and traditional tungsten heavy alloys. Tantalum priority of entering matrix and a relative high solubility in liquid matrix depress tungsten solubility in liquid matrix, which decreases kinetic rate constant K and consequently results in the reduction of W grain size. The grain refinement is influenced by Ta content and becomes more obvious when Ta content is over 5%. The sample with less than 3%Ta has dominant W and matrix phases. While besides W and matrix phases, intermetallic phases emerge in 85W-5Tai-7Ni-3Fe sample. Ta is superfluous and forms a new tantalum phase when more than 7% Ta is added into alloys.

晶粒尺寸对铌钨合金力学性能的影响

本文以铌钨合金为研究对象,通过熔炼、挤压、锻造制备了两种不同晶粒尺寸的铌钨合金棒材,研究了初始晶粒尺寸对经过热处理后棒材的显微组织和力学性能的影响,研究结果将为制备有特殊性能要求的铌合金材料提供一定参考。结果表明,经过相同热处理工艺处理后,初始晶粒尺寸细小的Φ43 mm棒材形成均匀细小的等轴晶,而初始晶粒尺寸粗大的Φ89 mm棒材形成不均匀且粗大的部分再结晶组织。无论是室温拉伸还是高温(1100℃)拉伸,晶粒细小的Φ43 mm棒材均呈现较好的屈服强度,分别为401 MPa和272 MPa。因此,铌钨合金的屈服强度与棒材初始晶粒尺寸有关。铌钨合金棒材的屈服强度要求越高,越需制备具有细小初始晶粒的棒材。

超细晶/纳米晶钨材料制备技术的研究进展

晶粒细化可显著提高超细晶/纳米晶钨材料的性能,介绍了超细晶/纳米晶钨材料制备技术的最新研究进展,包括粉末冶金法和深度塑性变形法,粉末冶金法的烧结工艺主要包括热等静压烧结、超高压通电烧结、放电等离子体烧结、微波烧结等;深度塑性变形法包括高压扭转、等通道挤压、表面机械研磨处理和累积轧制等。由于超细晶/纳米晶钨材料存在大量的晶界可有效提高材料的力学性能和抗辐照性能,因此有望解决纯钨材料作为核聚变堆面向等离子体材料存在的问题,对超细晶/纳米晶钨材料的发展提出了建议。

瞬态热流下钨再结晶规律的研究

通过观测钨分别在能量密度3.82MJ⋅m^(−2)/脉宽5ms和能量密度1.5MJ⋅m^(−2)/脉宽1ms的脉冲电子束1~100次的辐照下发生再结晶及晶粒长大的情况,研究了钨在瞬态热流下的再结晶行为及其对脉冲参数的依赖关系。根据非等温匀速加热退火过程的晶粒尺寸表达式推导出了瞬态热流下晶粒正常长大的表达式,再结合实验数据推导出了钨在脉宽ms量级瞬态热流辐照下发生正常长大的晶粒尺寸对脉冲参数的依赖关系。利用该关系计算得到的钨在脉宽5ms、1ms的脉冲电子束辐照下的晶粒尺寸与晶粒只发生正常长大的实验结果相吻合。

高频燃烧红外吸收法测定高硫铜磁铁矿中硫含量

以硫酸钾基准试剂为硫标准绘制校准曲线,建立了高频燃烧红外吸收法测定高硫铜磁铁矿中高含量硫的方法。选定硫质量分数在0.5%-7%之间的5个水平样品（硫的质量分数分别约为7%、5%、2.5%、1.5%和0.5%）进行试验,确定最佳实验条件如下：硫质量分数在0.5%-3%之间时,选择称样量为0.15g;硫质量分数在3%-7%之间时,选择称样量为0.10g;样品加入方式为先将样品放入铺有0.80g铁屑的瓷坩埚中,再覆盖2.0g钨粒。结果表明,硫含量在0.50-12mg之间与其吸光度呈良好的线性关系,线性回归方程为y=5 825.5x＋415.75,相关系数R=0.999 9。方法检出限为0.036%,测定下限为0.14%。采用方法对选定的5个水平的高硫铜磁铁矿样品平行测定11次,测得结果与硫酸钡重量法基本一致,相对标准偏差（RSD）均不大于5.0%。方法的重复性限为r=0.032 m＋0.036,再现性限为R=0.040 m＋0.053。

钨对称倾斜晶界的分子动力学计算模拟

本文通过分析对称倾斜晶界的结构特点,建立了一套基于倒易空间阵点的对称倾斜晶界构建方法,并通过基于嵌入原子势分子动力学模拟研究了体心立方钨不同旋转轴和倾斜角的对称倾斜晶界结构、界面能和分离功。结果表明:在倾斜角或其对应的余角较小的情况下(<20°),随着倾斜角的增大,晶界能增加,说明小角度晶界具有较低的晶界能;而倾斜角较大时,晶界能出现了局域极小值,对应着特殊的大角度对称倾斜晶界,通过界面原子结构确定了其重位点阵参数;不同旋转轴下的对称倾斜晶界的晶界能都不相同,如以[110]和[111]为旋转轴时,体心立方Σ3(112)孪晶界具有最低的晶界能。分离功的结果表明,以[100]为旋转轴的特殊大角度对称倾斜晶界易于断裂,而以[110]和[111]旋转轴的孪晶界Σ3(112)及偏离其一定角度的大角度晶界具有高的分离功,在钨及钨合金的界面结合和断裂强度上起主要作用。

细颗粒紫钨的制备

对采用APT为原料 ,在湿氢条件下进行氢还原制备细颗粒活性氧化钨—紫钨的工艺进行了研究。结果表明 ,紫钨的生成条件与还原温度、氢气湿度、升温速度、原料粒度、料层厚度等因素有关 ,紫钨的粒度随还原温度的升高、氢气湿度及升温速度的增大、原料粒度及料层厚度的增大而增大。实验中以APT (10 μm)为原料 ,在pH2 O∶pH2 =1.7∶1,2h内温度升至 1173K ,在 1173K保温 1.5h的条件下 ,直接还原获得粒度为 2 .2 μm的紫钨。

纳米钨粉体的表征及其晶格畸变分析

以工业化生产技术成功地制备了不同粒径的纳米W粉体,采用EDS、SEM和XRD对样品的含量、形貌、物相进行了表征,并计算了其晶格参数和晶胞体积。结果表明,纳米W粉体为bcc晶态结构,晶格发生收缩;随着晶粒尺寸的减小,晶格参数和晶胞体积收缩率增大,且晶格畸变率与粒径的倒数呈正比线性关系。

细晶钨合金动态力学性能与组织结构

为了预测细晶钨合金用作穿甲弹的高剪切毁伤效应，采用机械合金化（MA）和喷雾干燥-热还原两种方法制备含稀土的超细93W-Ni-Fe-Y2O3复合粉末，利用冷等静压液相烧结的方法制备Ф20mm-Ф25mm的晶粒度小于8μm的钨合金棒材。利用Hopkinson压杆装置对细晶钨合金进行了高应变率（〉10^3／s）下的动态力学性能研究，分析了应变、应变率、Y2O3等因素对细晶钨合金棒材的动态性能的影响。结果表明：钨合金在高应变率下会出现应变强化和热软化效应，在低应变时应力随着应变的增加而增加，当应变达到0．03后，应力随着应变的增加呈锯齿状上升趋势。钨合金在高应变率下会出现应变率强化效应，随着应变率的增加，应力增加。添加Y2O能提高材料的最大应力强度，提高钨合金的动态力学性能。

热等静压方法制备细晶钨合金及其动态力学性能研究

采用喷雾干燥方法制备了超细90W7Ni3Fe复合粉末,并冷等静压成形,压坯经过低温还原后采用热等静压进行低温压制烧结,得到了晶粒度小于5μm、接近理论密度的钨合金材料。利用Hopkinson压杆装置对细晶钨合金进行了动态力学性能研究,对不同应变率下的应力应变曲线进行分析。结果表明:通过热等静压低温烧结而成的细晶钨合金,在高应变率下表现出明显的应变强化和应变率强化效应,其动态力学性能优于常规液相烧结制备的钨合金。

η相粉末的制备及烧结工艺对板状WC晶粒的影响

以W粉、Co粉及炭黑为原料制备η相粉末,向WC–10Co混合粉末中加入质量分数为8%的η相粉末和一定化学计量比的工业炭黑,利用传统粉末冶金工艺制备含板状WC晶粒的硬质合金。研究了合成温度对η相的影响以及烧结温度、固相烧结升温速率对板状WC晶粒的作用。结果表明:在氮气保护气氛下,当行星球磨时间为12 h时,1050℃保温1 h即可得到Co_6W_6C相含量较高的η相粉末。在保温时间为1 h的前提下,烧结温度为1440℃,有利于合金中板状WC晶粒的生长,此时合金的力学性能最佳;在烧结温度与保温时间一定的前提下,当固相升温速率由6℃/min降低到2℃/min时,板状WC晶粒的尺寸和长厚比逐渐增加,合金的强度保持不变,维氏硬度提高了3%,断裂韧性提高了13%。