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Combination Effect of Transition Metal Impurities on Oxygen Vacancy Formation Energetics in TiO2 过渡金属杂质对二氧化钛中氧空位形成能量的组合效应
IF 1.6 4区 材料科学 Q2 Engineering Pub Date : 2024-02-08 DOI: 10.1134/s1029959924010065
A. V. Bakulin, L. S. Chumakova, S. O. Kasparyan, S. E. Kulkova

Abstract

The combination effect of substitutional impurities of group IVB–VIB transition metals on the oxygen vacancy formation energy in rutile titania was studied by the projector augmented wave method within density functional theory. The pair interaction energy of impurity atoms was estimated depending on the interatomic distance. It was shown that the interaction in the Zr + Zr, Hf + Hf and Nb + Ta pairs leads to the energy preference of their orientation along the <100> direction at a distance of the lattice parameter a. The Mo + Mo and Nb + Mo pairs prefer to orient along the [001] direction at a distance of the lattice parameter c. If the impurity atoms are farther than the third neighbors, then their interaction can be neglected. It was found that the change in the oxygen vacancy formation energy due to doping with several impurities can be estimated as the sum of the energy changes due to single impurity divided by a coefficient whose value depends on the mutual arrangement of the impurity atoms.

摘要 采用密度泛函理论中的投影增强波法研究了 IVB-VIB 族过渡金属取代杂质对金红石型二氧化钛中氧空位形成能的组合效应。根据原子间距离估算了杂质原子的成对相互作用能。结果表明,Zr + Zr、Hf + Hf 和 Nb + Ta 原子对中的相互作用导致它们在晶格参数 a 的距离上沿 <100> 方向取向的能量偏好;Mo + Mo 和 Nb + Mo 原子对在晶格参数 c 的距离上沿 [001] 方向取向的能量偏好。研究发现,掺杂多个杂质引起的氧空位形成能的变化可以用单个杂质引起的能量变化之和除以一个系数来估算,该系数的值取决于杂质原子的相互排列。
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引用次数: 0
Dislocation Structure in a Strain Localization Band Formed in Normalized 09G2S Steel under Tension 正火 09G2S 钢在张力作用下形成的应变局部带中的位错结构
IF 1.6 4区 材料科学 Q2 Engineering Pub Date : 2024-02-08 DOI: 10.1134/s102995992401003x
V. M. Farber, O. V. Selivanova, A. N. Morozova, V. A. Khotinov, M. S. Khadyev, A. Yu. Zhilyakov

Abstract

The paper reports on a transmission electron microscopy analysis of the dislocation structure of normalized 09G2S steel with strain aging. The analysis shows that in a steel specimen deformed to its yield stress, the dislocation density peaks at the center of a strain localization band (in its active zone) and decreases by about an order of magnitude at its sides. The structure of these band zones, which are in different strain hardening stages, is examined and the Burgers vector of dislocations of the primary slip system is determined. The ends of such dislocations form ordered planar dipole walls, leading to polygonization by dislocation slip. Also considered is the specimen structure at the yield and ultimate stresses.

摘要 本文报告了对应变时效正火 09G2S 钢位错结构的透射电子显微镜分析。分析结果表明,在变形至屈服应力的钢试样中,位错密度在应变定位带的中心(在其活动区)达到峰值,而在其两侧则下降约一个数量级。对这些处于不同应变硬化阶段的带区结构进行了研究,并确定了主滑移系统位错的布尔格斯矢量。这些位错的末端形成有序的平面偶极壁,通过位错滑移导致多边形化。同时还考虑了屈服应力和极限应力下的试样结构。
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引用次数: 0
Structural-Phase State and Mechanical Properties of a Laser Cladding Titanium Matrix Composite Based on Ti64 Alloy and TiB2 Ceramics 基于 Ti64 合金和 TiB2 陶瓷的激光熔覆钛基复合材料的结构相态和力学性能
IF 1.6 4区 材料科学 Q2 Engineering Pub Date : 2024-02-08 DOI: 10.1134/s1029959924010016
V. M. Fomin, A. G. Malikov, A. A. Golyshev, N. V. Bulina, M. A. Gulov, I. E. Vitoshkin, T. A. Brusentseva, A. A. Filippov, A. V. Mishin

Abstract

The paper presents experimental studies on laser cladding synthesis of a titanium matrix composite based on Ti64 titanium alloy and TiB2 ceramic reinforcement. The weight percentage of TiB2 ceramics in the composite was 5, 10 and 15%. The phase composition of the resulting materials was analyzed by standard X-ray diffraction and synchrotron X-ray diffraction. It was found that the structure of the titanium matrix composite with 5 wt % ceramics consists of TiB nanowhiskers, and that of samples with higher ceramic content exhibits TiB whiskers with a width of several micrometers. The addition of TiB2 ceramics increases Young’s modulus, nano- and microhardness of composite samples compared to Ti64 alloy. The indentation method was used to study the formation of a phase that is different from TiB2 ceramics and TiB microwhiskers and has elastic properties exceeding the elastic properties of the original Ti64 matrix phase. Analytical predictions showed an increase in the effective elastic properties of the formed heterogeneous material with the predicted new phase. It was also found that a lower friction coefficient can be achieved by forming a structure with nanowhiskers, while higher Young’s modulus and microhardness can be obtained by forming a structure with microwhiskers.

摘要 本文介绍了基于 Ti64 钛合金和 TiB2 陶瓷增强体的钛基复合材料激光熔覆合成的实验研究。复合材料中 TiB2 陶瓷的重量百分比分别为 5%、10% 和 15%。通过标准 X 射线衍射和同步辐射 X 射线衍射分析了所得材料的相组成。结果发现,陶瓷含量为 5 wt % 的钛基复合材料的结构由 TiB 纳米晶须组成,而陶瓷含量较高的样品则呈现出宽度为几微米的 TiB 晶须。与 Ti64 合金相比,添加 TiB2 陶瓷可提高复合材料样品的杨氏模量、纳米硬度和微硬度。压痕法用于研究不同于 TiB2 陶瓷和 TiB 微须的相的形成,其弹性特性超过了原始 Ti64 基体相的弹性特性。分析预测结果表明,随着新相的出现,所形成的异质材料的有效弹性特性会增加。研究还发现,通过形成具有纳米晶须的结构可以获得更低的摩擦系数,而通过形成具有微晶须的结构可以获得更高的杨氏模量和微硬度。
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引用次数: 0
Experimental and Numerical Investigation of Mesoscale Deformation-Induced Surface Roughening in Polycrystalline Metals and Alloys (Review) 多晶金属和合金中尺度变形引起的表面粗化的实验和数值研究(综述)
IF 1.6 4区 材料科学 Q2 Engineering Pub Date : 2024-02-08 DOI: 10.1134/s1029959924010028
E. S. Emelianova, O. S. Zinovieva, V. A. Romanova, R. R. Balokhonov, M. Pisarev

Abstract

The paper provides a review of experimental and numerical studies of deformation-induced surface roughening in loaded metals and alloys. Consideration is given to various parameters for assessing strain-induced surface roughness, factors influencing the roughness characteristics, and models describing surface roughening in polycrystalline alloys.

摘要 本文综述了对负载金属和合金变形诱导表面粗糙化的实验和数值研究。文中考虑了用于评估应变诱导表面粗糙度的各种参数、影响粗糙度特性的因素以及描述多晶合金表面粗糙化的模型。
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引用次数: 0
Creep Resistance and Structure of 10% Cr–3% Сo–2% W–0.29% Cu–0.17% Re Steel with Low Nitrogen and High Boron Contents for Unit Components of Coal Power Plants 用于煤电厂机组部件的低氮高硼含量 10% Cr-3% Сo-2% W-0.29% Cu-0.17% Re 钢的抗蠕变性和组织结构
IF 1.6 4区 材料科学 Q2 Engineering Pub Date : 2024-02-08 DOI: 10.1134/s1029959924010090
A. Fedoseeva

Abstract

The creep resistance and structure of 10% Cr–3% Сo–2% W–0.29% Cu–0.17% Re steel with 0.1% carbon, low nitrogen content and high boron content were investigated by creep rupture testing at a temperature of 650°C and stresses from 200 to 100 MPa applied in 20-MPa increments. For comparison, 9% Cr steel with 0.1% carbon, 0.05% nitrogen, and 0.005% boron was considered. The steels were subjected to preliminary heat treatment including normalizing at 1050°C for 1 hour, tempering at 750–770°C for 3 hours, and cooling in air. The structures of both heat-treated steels exhibited martensite laths with boundaries pinned by М23С6 carbides, and the rearrangement of dislocations was retarded by MX particles. A significant difference between 10% Cr and 9% Cr steels was the presence of fine М23С6 carbide particles characterized by orientational relationships with the ferrite matrix and MX carbonitrides, whose volume fraction was 6 times lower. Short-term tensile tests at room temperature showed no differences between the steels, while the creep rupture strength of 10% Cr steel was 13% higher than for 9% Cr steel. The creep deformation mechanism of the steels was also different. Structural analysis of 10% Cr steel after creep tests revealed no substantial changes in its lath structure: the lath width increased by only 58% and the dislocation density was reduced by a factor of 2. Comparison with 9% Cr steel showed that the good structural stability of 10% Cr steel during creep is caused by the high coarsening resistance of second phase particles, whose coarsening rate is 1-2 orders of magnitude lower than that in 9% Cr steel.

摘要 通过蠕变断裂试验研究了含 0.1%碳、低氮和高硼的 10%Cr-3%Сo-2%W-0.29%Cu-0.17%Re钢的抗蠕变性和结构,试验温度为 650°C,应力从 200 兆帕到 100 兆帕,以 20 兆帕为增量。作为对比,还考虑了含 0.1% 碳、0.05% 氮和 0.005% 硼的 9% 铬钢。钢材经过初步热处理,包括在 1050°C 正火 1 小时,在 750-770°C 回火 3 小时,然后在空气中冷却。两种热处理钢的结构都呈现出马氏体板条,其边界由М23С6碳化物钉住,MX颗粒阻碍了位错的重新排列。10% 铬钢和 9% 铬钢之间的一个显著区别是存在细小的М23С6 碳化物颗粒,其特征是与铁素体基体和 MX 碳氮化物之间存在取向关系,其体积分数低 6 倍。室温下的短期拉伸试验显示,两种钢之间没有差异,而 10% Cr 钢的蠕变断裂强度比 9% Cr 钢高 13%。两种钢的蠕变变形机制也不同。蠕变试验后对 10% 铬钢的结构分析表明,其板条结构没有发生实质性变化:板条宽度仅增加了 58%,位错密度降低了 2 倍。 与 9% 铬钢的比较表明,10% 铬钢在蠕变过程中具有良好的结构稳定性是由于第二相颗粒具有较高的抗粗化能力,其粗化率比 9% 铬钢低 1-2 个数量级。
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引用次数: 0
Mechanical Properties of Sintered Al–Sn–Fe Alloys 烧结 Al-Sn-Fe 合金的机械性能
IF 1.6 4区 材料科学 Q2 Engineering Pub Date : 2024-02-08 DOI: 10.1134/s1029959924010077
N. M. Rusin, A. L. Skorentsev, K. O. Akimov

Abstract

The paper analyzes the features of plastic flow in compression in sintered Al–Sn–Fe alloys, some of which were exposed to compaction in a closed die at a pressure of 300 MPa and temperature of 250°C, and some to equal-channel angular pressing by route A (ECAP-A) at the same temperature. The analysis shows that the sintered composites comprise agglomerates of Sn-cemented Al3Fe particles formed in place of Fe powder particles due to the interaction of Al and Fe in sintering. The agglomerates are strong but sufficiently ductile, due to Sn, to survive under deformation and to efficiently impede the propagation of strain localization bands and microcracks. In compression, such agglomerates in Al20Sn17Al3Fe hold their form, moving as solid units, while the composite displays good ductility. In ECAP-A, they extend in the direction of plastic flow, and this adversely affects their ductility in further compression.

摘要 本文分析了烧结 Al-Sn-Fe 合金在压缩过程中的塑性流动特征,其中一些合金在压力为 300 兆帕和温度为 250 摄氏度的封闭模具中进行了压制,而另一些合金则在相同温度下通过路线 A(ECAP-A)进行了等通道角压。分析表明,烧结复合材料由取代铁粉颗粒的锡增强 Al3Fe 颗粒团聚体组成,这是由于 Al 和铁在烧结过程中发生了相互作用。这些团聚体强度很高,但由于Sn的存在而具有足够的韧性,因此能够在变形条件下存活,并有效地阻止应变局部带和微裂纹的扩展。在压缩过程中,Al-20Sn-17Al3Fe 中的这种团聚体保持其形状,作为固态单元移动,同时复合材料显示出良好的延展性。而在 ECAP-A 中,它们向塑性流动方向延伸,这对进一步压缩时的延展性产生了不利影响。
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引用次数: 0
Effect of Preliminary Ball Milling of Nanomodifiers on Their Efficiency in Laser Surface Treatment of Titanium 纳米改性剂的初步球磨对激光表面处理钛效率的影响
IF 1.6 4区 材料科学 Q2 Engineering Pub Date : 2024-02-08 DOI: 10.1134/s1029959924010089
A. E. Chesnokov, V. O. Drozdov, K. A. Skorokhod, A. V. Smirnov, A. N. Cherepanov

Abstract

This study examines how preliminary mechanical milling of a modifying TiN-based powder mixture affects the morphology of the CO2 laser-treated surface, the weld pool morphology, and the cross-sectional structure of the material. Ultrafine titanium nitride particles used as nanomodifier have low wettability by liquid metal, are not entrained by its convective flows, and tend to accumulate in the subsurface layer, which makes it difficult to effectively modify the structure within the treated material. Ball milling of the modifying Ti + TiN mixture for 9 min leads to the formation of composite particles (5–7 µm) with ultrafine TiN particles uniformly distributed over their surface and volume. When the composite particles are melted by the laser beam, they turn to ultrafine TiN particles of nanomodifier coated with a thin titanium layer, which have a smaller contact angle. As a result, the particles are more evenly distributed over the weld pool and the number of crystallization centers increases, leading to the formation of a fine homogeneous structure of the material. The microhardness increases by 32%, and its standard deviation decreases by a factor of 1.5–3.0.

摘要 本研究探讨了改性 TiN 基粉末混合物的初步机械研磨如何影响 CO2 激光处理表面的形态、焊接熔池形态以及材料的横截面结构。用作纳米改性剂的超细氮化钛颗粒对液态金属的润湿性较低,不会被液态金属的对流夹带,容易在次表层堆积,因此很难有效地改变处理材料内部的结构。将改性 Ti + TiN 混合物球磨 9 分钟,可形成复合颗粒(5-7 微米),其表面和体积上均匀分布着超细 TiN 颗粒。当复合颗粒被激光束熔化时,它们会变成纳米改性剂的超细 TiN 颗粒,表面涂有一层薄薄的钛层,接触角较小。因此,颗粒在焊接熔池中的分布更加均匀,结晶中心的数量增加,从而形成了材料的精细均匀结构。显微硬度增加了 32%,其标准偏差降低了 1.5-3.0 倍。
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引用次数: 0
Meso–Macro Energy Exchange in Shock-Wave Processes and Dynamic Strength of AB2 Steel 冲击波过程中的中宏观能量交换与 AB2 钢的动态强度
IF 1.6 4区 材料科学 Q2 Engineering Pub Date : 2024-02-01 DOI: 10.1134/s1029959924010107

Abstract

Impact tests of low-alloy martensitic-bainitic steel AB2 showed that the scale of dynamic deformation and the fracture mechanism change in a threshold manner. The change in the mechanism and scale of fracture is triggered by the resonant excitation of large-scale structural elements of the material (grain conglomerates) due to plastic flow oscillations. In this case, the grain-boundary mechanism of dynamic fracture is replaced by a transcrystalline one. Beyond the strain rate threshold, mesoscopic elementary carriers of dynamic deformation are divided into two groups: low-velocity and high-velocity. Accordingly, the velocity distribution of mesoparticles shows two humps. The velocity spread of mesoparticles sharply increases under these conditions, while the mass velocity defect (change in the shock wave amplitude) becomes negative. The latter fact indicates the local acceleration of mesoparticles in discrete regions of the target (the so-called shooting of mesoparticles in the shock wave direction). Transcrystalline cracks are randomly distributed throughout the specimen and have a random orientation.

摘要 低合金马氏体-贝氏体钢 AB2 的冲击试验表明,动态变形尺度和断裂机制以阈值方式发生变化。断裂机理和规模的变化是由塑性流动振荡引起的材料大尺度结构元素(晶粒团块)共振激发的。在这种情况下,动态断裂的晶界机制被跨晶机制所取代。超过应变速率阈值后,动态变形的介观基本载体分为两组:低速和高速。相应地,介观粒子的速度分布呈现出两个驼峰。在这些条件下,介观粒子的速度分布急剧增加,而质量速度缺陷(冲击波振幅的变化)变为负值。后一事实表明,介观粒子在目标的离散区域局部加速(即所谓的介观粒子沿冲击波方向射出)。跨晶裂纹在整个试样中随机分布,并具有随机取向。
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引用次数: 0
Development of an Energy-Based Experimental Method for Estimation of Fatigue Crack Evolution in Titanium Alloys 开发基于能量的实验方法,用于估算钛合金疲劳裂纹的演变
IF 1.6 4区 材料科学 Q2 Engineering Pub Date : 2024-02-01 DOI: 10.1134/s1029959924010041

Abstract

This paper presents an experimental study of energy dissipation caused by fatigue crack growth in Grade 2 titanium and titanium alloys Ti-1.1Al-0.9Mn and Ti-4.6Al-1.77V using the original heat flux method. It is shown that significant structural changes occur in the material under plastic deformation, leading to internal energy evolution. As is known, a large part of the deformation energy is dissipated as heat. The developed method allows high-accuracy measurements of the heat flux caused by plastic zone development at the crack tip directly in the fatigue experiment. Simultaneous measurements of the crack length and displacements in the stress concentration zone allow estimating the energy balance of the tested specimens. Analysis of the obtained data confirms that the stored strain energy reflecting the structural state of the material can be used as a fracture criterion. Based on the heat flux data, a kinetic equation is derived for predicting the rate of fatigue crack growth under Paris’s law by the energy dissipation rate.

摘要 本文采用原始热通量法对 2 级钛和钛合金 Ti-1.1Al-0.9Mn 和 Ti-4.6Al-1.77V 中疲劳裂纹生长引起的能量耗散进行了实验研究。结果表明,材料在塑性变形下会发生重大结构变化,导致内能演变。众所周知,变形能量的很大一部分以热量的形式耗散。所开发的方法可在疲劳实验中直接对裂纹尖端塑性区发展所产生的热通量进行高精度测量。同时测量应力集中区的裂纹长度和位移,可以估算出测试试样的能量平衡。对所获数据的分析证实,反映材料结构状态的存储应变能可用作断裂标准。根据热通量数据,推导出一个动力学方程,通过能量耗散率来预测帕里斯定律下的疲劳裂纹增长速度。
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引用次数: 0
Spontaneous Stabilization and Large-Scale Oscillations of an Active Medium with Negative Dissipation 负耗散活性介质的自发稳定和大规模振荡
IF 1.6 4区 材料科学 Q2 Engineering Pub Date : 2023-12-15 DOI: 10.1134/s1029959923060024
A. E. Filippov, V. L. Popov

Abstract

The paper analyzes a numerical model of an “active medium” with linear elasticity and a negative initial dissipation constant dynamically renormalized under deformation. The analysis shows that such a system, being seemingly unstable over a wide range of geometries and origins of deformation, can spontaneously reach stable dynamic modes in which its time- and space-alternating dissipation forms complex quasiperiodic patterns and its total volume (length, area) oscillates on a large scale. The results presented in the paper are of interest in academic terms and in terms of mechanical and biological application.

摘要 本文分析了一个具有线性弹性和负初始耗散常数的 "活性介质 "数值模型,该模型在变形过程中进行了动态重规范化。分析表明,这种系统在各种几何形状和变形起源下看似不稳定,但可以自发达到稳定的动态模式,在这种模式下,其时间和空间交替耗散形成复杂的准周期模式,其总体积(长度、面积)在大尺度上振荡。论文中介绍的结果在学术、机械和生物应用方面都很有意义。
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引用次数: 0
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Physical Mesomechanics
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