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.     

Mg-Zn-Ce非晶合金力学与耐蚀性能的研究

镁合金作为生物可降解材料具有很多优势,但传统多晶镁合金腐蚀速率过快的问题限制了其更广泛的应用。与多晶镁合金相比,非晶态镁合金因具有独特的无定形结构,使其耐腐蚀能力比多晶镁合金的要好。采用铜辊甩带法制备得到了新型Mg_70−xZn₃₀Ce_x（x=2, 4, 6和8）非晶镁合金,并对其进行了力学性能和耐腐蚀性能的研究。结果表明：x为4和6时,Mg-Zn-Ce非晶合金的非晶形成能力最好;Ce的添加可以有效改善镁基非晶合金的脆性,使其弹性模量低于60 MPa,与人骨相似,从而能有效避免植入后因弹性模量过大导致的应力遮蔽效应的产生;同时,Ce的添加显著地提高了合金的耐腐蚀性,使其开路电位达到-0.2 V,腐蚀电流密度低至10^-6 A/cm²。     

块体非晶合金的室温力学行为研究新进展

块体非晶合金由于具有优异的力学性能、物理性能、化学性能,从而得到广泛研究.本文综述了块体非晶合金室温力学行为研究的最新进展,详细介绍了块体非晶合金的室温塑性、屈服行为以及变性机制.     

纳米多晶镍钨合金力学性能的分子动力学研究

为了研究钨原子分数与平均晶粒尺寸对镍钨合金纳米多晶力学性能的影响，本文运用分子动力学方法在10 K与300 K时对镍钨合金纳米多晶模型进行拉伸与剪切模拟，计算分析了不同钨原子分数(0%、5%、10%、15%、20%)的镍钨合金的抗拉强度、延伸率与抗剪切性能等力学性能，进一步研究了不同晶粒尺寸(2.4 nm、1.9 nm、1.5 nm)对镍钨合金多晶力学性能的影响。结果表明，当镍钨合金纳米多晶中钨原子分数为0%时，在10 K或者300 K时，平均晶粒尺寸小的镍钨合金纳米多晶抗拉强度大，但是抗剪切强度反而小；当镍钨合金纳米多晶中钨原子分数在0%～20%之间时，随着钨元素含量的增加，抗拉强度与抗剪强度也逐渐增大；当镍钨合金纳米多晶中钨原子分数在0%～15%之间时，温度为10 K或者300 K时，平均晶粒尺寸为1.5 nm的镍钨合金纳米多晶的延伸率大于平均晶粒尺寸为1.9 nm或者2.4 nm的镍钨合金纳米多晶的延伸率。     

FeCoCrNiCu高熵合金纳米压痕力学响应的分子动力学模拟

采用分子动力学(MD)模拟建立FeCoCrNiCu高熵合金纳米压痕模型，从杨氏模量、位错行为等方面对FeCoCrNiCu高熵合金进行相关力学性能分析。研究分析了纳米压痕过程中温度和加载速度对合金基体变形的影响。经模拟以及数据拟合发现，杨氏模量与实验结果近似一致；纳米压痕过程依次经历弹性-塑性阶段，进入塑性阶段后基体内部产生位错，随着压头的不断深入，位错不断形核扩展最终成环；由于高熵合金复杂的元素组成以及应变梯度效应，剪切应变在合金体内的分布是不均匀的。加载速度对弹性阶段影响不大，但会对位错的增长产生影响，临界塑性压深也会随加载速度的增大而增大；温度对高熵合金的变形有着显著影响，温度升高会使原子运动加剧，基体易于变形。低温下压痕力明显上升，这是由于低温本身会降低原子迁移率，同时也利于孪晶产生，使基体进一步强化。     

Ti_42.5Zr_7.5Cu_40Ni_5Sn_5块体非晶合金的形成、热稳定性与力学行为

采用铜模铸造方法制备了临界尺寸达4mm的Ti_42.5Zr_7.5Cu_40Ni_5Sn_5块体非晶合金.该合金的过冷液相区ΔT_x,约化玻璃转变温度T_rg,γ判据以及δ判据分别为63.9K,0.561,0.393以及1.400,这表明该合金具有优异的玻璃形成能力.这种Ti基块体非晶合金具有高达2162MPa的压缩强度,同时还有明显的塑性.     

Fe-Nb-B纳米晶合金的结构与磁性

利用X射线衍射,差热分析及静态磁性测量,研究了退火温度对不同成分的非晶Fe Nb B合金纳米晶化行为和磁性的影响·实验发现:在纳米晶化过程的初期出现磁硬化,矫顽力与最大磁导率均呈现不同程度的恶化·在硼化物(Fe2B和Fe3B)相析出前,具有纳米结构的合金由α Fe固溶体和非晶基体相组成,呈现较佳的软磁特性·随纳米晶相体积分数增加而呈现的磁软化现象可解释为由于纳米晶粒间距的减少,交换耦合增强所致·     

机械合金化Fe1-xNix系纳米晶合金的组织结构

利用机械合金化法从纯Fe粉和Ni粉中制备了Fe1-xNix（30％≤x≤50％，x为原子百分比）系纳米晶合金粉末，并对粉末经机械合金化过程中相结构的转变以及晶粒尺寸的变化做了较为详细的研究．通过对整个球磨过程中各种粉末样品的X射线衍射（XRD）分析发现：Fe1-xNix（30％≤x≤50％）粉末经球磨3h后已经完全合金化，10h后合金中面心立方（f．c.c．）固溶体的晶粒尺寸都达到20nm以下；晶粒尺寸与球磨时间存在负指数关系；经过适当时间的球磨，Fe1-xNix系纳米晶合金粉末将由开始的体心立方（b.c.c．）相和f.c.c．相完全转变为f.c.c．（Fe，Ni）固溶体相，且所需的时间随X的增大而减少．     

Ti42．5Zr7．5Cu40Ni5Sn5块体非晶合金的形成热稳定性与力学行为

采用铜模铸造方法制备了临界尺寸达4mm的Ti42．5Zr7．5Cu40Ni5Sn5块体非晶合金．该合金的过冷液相区△Tx,约化玻璃转变温度Trg,γ判据以及δ判据分别为63．9K,0．561,0．393以及1．400,这表明该合金具有优异的玻璃形成能力．这种Ti基块体非晶合金具有高达2162MPa的压缩强度,同时还有明显的塑性．     

小尺寸Au-Ag合金团簇稳定结构的模拟研究

采用微正则分子动力学方法模拟了原子数N=80的7种Au-Ag合金团簇（按原子数比例不同）,得到团簇势能随温度变化关系．结果表明,降温速度对团簇结构的势能影响很大,冷却速度较慢的情况下,形成的团簇势能较低,结构相对稳定．采用相同的降温速度模拟了N=144的7种Au-Ag合金团簇的这种稳定结构,得出各种原子数比例不同的合金团簇的稳定结构具有一定的相似性．     

Dependence of mechanical behavior on grain size of metastable Ti–Nb–O titanium alloy

Cold-rolled metastable β-type Ti–38Nb-0.2O alloy was subjected to annealing treatment to obtain different precipitates and grain sizes. The influence of annealing on microstructure and mechanical properties was investigated. The alloy annealed at 673 ?K or 773 ?K exhibited a single-stage yielding with high strength and low uniform elongation, due to the residual work hardening and the precipitation of ω or α phases. The alloy annealed at above 873 ?K exhibited an obvious double yielding behavior resulting from the stress-induced martensitic transformation. The grain growth kinetics of single β phase alloy is sensitive to temperature, and it is suggested that the existence of oxygen decreases the grain growth exponent and increases the required activation energy for grain growth. The critical stress for slip decreased monotonously with the increase of grain size, following the classic Hall-Petch relationship. However, the critical stress for martensitic transformation decreased to a minimum and then increased again, as the grain size increased. The results are worth for design of the heat-treatment parameters of the Ti–38Nb-0.2O alloy for engineering applications.     

热处理工艺对聚乙烯醇力学性能影响的分子模拟研究

为了研究不同热处理工艺对聚乙烯醇力学性能的影响,使用Build polymers命令构建了链节数为100的1,3-乙二醇高分子链,采用Amorphous Cell模块将优化好的链段结构构建在三维周期边界下,得到聚乙烯醇的结构模型.采用COMPASS力场,取NVT系综,分别在363、373、383和393K温度下进行分子动力学计算,以模拟不同的热处理温度;取冷却速率分别为17和5K/600ps,以模拟快速冷却和缓慢冷却对聚乙烯醇力学性能的影响.结果表明,与快速冷却相比,缓慢冷却所得聚乙烯醇刚性减小,弹性伸长增加,延展性增强,力学性能得到改善.373K热处理温度下所得PVA的泊松比和柯西压最大,弹性伸长最好,延展性最强,力学性能最佳.     

Synthesis and characterization of AlCoCrCuFeZnx high-entropy alloy by mechanical alloying

Equi-atomic and non equi-atomic multi-component systems were synthesized through different routes to form high-entropy single solid solution. One such high-entropy alloy(HEA) with hexanary composition AlCoCrCuFeZn_x was synthesized using mechanical alloying. The effect of zinc variation on the crystal structure and phase formation was characterized using XRD, FESEM with EDS and TEM. The synthesis resulted in both equi-atomic and non equi-atomic nano crystalline AlCoCrCuFeZn with a crystallite size less than 10 nm.     

HNS/EP 35 PBXs力学性能的分子动力学模拟

本文应用分子动力学(MD)模拟方法, 研究耐热炸药六硝基茋(HNS)与常用高聚物粘结剂三元乙丙橡胶(EP 35型)所构成的HNS/EP 35高聚物粘结炸药(PBXs)的力学性能随温度和高聚物浓度而变化的规律. 结果表明, 添加高聚物于主体炸药中, 拉伸模量和剪切模量减小, 表明刚性减小, 弹性增大; 为考察温度对力学性能的影响及机理, 在298K~550K范围完成对HNS/EP 35 PBX的MD模拟. 力学分析表明, 随温度增加HNS/EP 35的弹性模量呈抛物线变化规律, 归因于EP 35分子链的运动及其构象随温度的变化.     

Precipitation behavior and grain refinement of burnishing Al-Zn-Mg alloy

Burnishing is a unique strengthening approach to improve the strength of surface layer and remains the ductility of the interior of metallic materials. In this work, burnishing treatment was employed to improve the surface microstructure of naturally aged Al-Zn-Mg alloys after solid solution. Transmission electron microscopy, highresolution transmission electron microscopy, X-ray diffraction and nano-indentation were used to characterize the effects of the burnishing on the microstructures of surface layer and Guinier-Preston(GP) zones. It was indicated that GP zones uniformly distributed and dispersed in the matrix before burnishing, and the amount of GP zones decreased dramatically after burnishing processing. Additionally, the grains in the surficial layer were refined into nano-crystals with an average grain size of 78 nm. Burnishing treatment not only led to formation of large number of dislocation substructures in the sub-surface and near-matrix surface, but also promoted the precipitation of metastable η' phase at grain boundaries. The synergistic effects of the grain refinement, dislocation multiplication and the precipitation of η' phase strengthen the burnished layer of Al-Zn-Mg alloy.     

高合金钢中稀土对晶界沉淀及力学性能的研究

高合金钢中稀土含量的不同，晶界沉淀相的形貌、尺寸、数量和分布状态也不同，这直接影响合金的力学性能。本以高温合金和耐热钢为例探讨稀土元素对晶界沉淀和力学性能的影响.     

高度方向尺寸对铝蜂窝面外力学性能的影响

对10种不同高度的正六边形商用铝蜂窝进行了加载速率为6 mm/min的面外单轴压缩实验,以此来确定高度方向的尺寸对铝蜂窝力学性能(曲线模量、弹性模量、峰值应力、平台应力以及密实化应变)的影响,并对各尺寸试样的力学性能进行了比较。实验结果表明:铝蜂窝试样高度方向的尺寸对其峰值应力、以及平台应力几乎没有影响,但是密实化应变和弹性模量对蜂窝试样的高度方向的尺寸是敏感的,并且均随H/d增大而增大,对于密实化应变在H/d3.46时趋于稳定,而高度尺寸直到H/d4.16对弹性模量的影响才消失。其中H为蜂窝试样高度方向的尺寸,d是蜂窝细胞的尺寸。为了获得铝蜂窝结构稳定的力学参数,蜂窝试样高度尺寸与其胞元尺寸的比值至少应大于4.16。     

Effect of heat treatment on microstructures and mechanical properties of a bulk nanostructured Al-Zn-Mg-Cu alloy

A bulk nanostructured Al-10.0Zn-2.8Mg-1.8Cu alloy was synthesized by cryomilling first and then by spark plasma sintering (SPS), and the effect of heat treatment on the microstructures and mechanical properties of this alloy were studied. Most MgZn₂ particles with a coarse size lie on the grain boundaries of the SPS-processed sample. After solid solution and artificial aging, fine spherical-like MgZn₂ particles precipitate uniformly in the grain interiors. No obvious grain growth is found after the heat treatment. A nanoindentation study indicates that no clear change is found in the Yong's modulus of the nanostructured alloy after the heat treatment. However, the hardness of the nanostructured alloy increases by about 33% after the heat treatment, which is attributed to the effect of precipitation-hardening.     

Effects of Ce-rich RE on microstructure and mechanical properties of as-cast Mg-8Li-3Al-2Zn-0.5Nd alloy with duplex structure

The effects of Ce-rich RE on the microstructure and mechanical properties of as-cast Mg-8Li-3Al-2Zn-0.5Nd-x RE(x = 0, 1, 2, 3 wt%) alloys were investigated. The results indicated that the as-cast Mg-8Li-3Al-2Zn-0.5Nd alloy mainly consisted of α-Mg, β-Li, AlLi, MgLi2 Al and Al2 Nd phases. With the addition of Ce-rich RE in the alloy,Al3 RE and Al2 RE phases generated and gradually grew into net-like or block-like structure. With the addition of RE, Al-RE phases generated by consuming Al element and, thus, less Al element was dissolved in the matrix and less AlLi phase formed. Furthermore, less AlLi phase means that more Li element released to cause the increase ofβ-Li phase and refine the α-Mg phase. Under the influence of these factors, adding more RE led to higher elongation and lower tensile strength and hardness. With the addition of Ce-rich RE, the yield strength and ultimate tensile strength of the as-cast Mg-8Li-3Al-2Zn-0.5Nd alloy gradually decreased from 180 to 152 MPa and from 215 to 193 MPa, respectively, while the elongation was remarkably improved from 21.1% to 40.2%.