无定形水化硅酸钙纳米压痕模拟及卸载段处理

基于预测水泥及其水化物体积性能的简化物理模型Wittmann模型，结合分子动力学研究方法，构建水 化硅酸钙(C-S-H)凝胶模型用来模拟纳米压痕实验．在弛豫阶段使用高温淬火方法将模型转变为无定形态，并 测定模型高温淬火前后的径向分布函数，确定了无定形态下的水化硅酸钙(C-S-H)压痕模型，计算得出荷载深 度曲线 （P-h 曲线）．考虑到高温淬火对模型内粒子热力学运动的影响以及带来的位错效应，分别采用 OliverPharr方法与 Cheng-Cheng 方法对荷载深度曲线的卸载段进行分析处理．其中 Oliver-Pharr方法计算得到硬度 H 为 0.92 GPa，折合模量 Er为 29.56 GPa；Cheng-Cheng方法计算得到折合模量 Er为(34.92±7.57) GPa．与文献结 果及标准试块实验结果进行对照，探究两种计算方法的合理性及适用范围，并提出研究展望     

纳米压痕过程的三维有限元数值试验研究

采用有限元方法模拟了纳米压痕仪的加、卸载过程，三维有限元模型考虑了纳米压痕仪的标准Berkovich压头．介绍了有限元模型的几何参数、边界条件、材料特性与加载方式，讨论了摩擦、滑动机制、试件模型的大小对计算结果的影响，进行了计算结果与标准试样实验结果的比较，证实了模拟的可靠性．在此基础上，重点研究了压头尖端曲率半径对纳米压痕实验数据的影响．对比分析了尖端曲率半径r＝0与r＝100nm两种压头的材料压痕载荷—位移曲线．结果表明，当压头尖端曲率半径r≠0时，基于经典的均匀连续介质力学本构理论、传统的实验手段与数据处理方法，压痕硬度值会随着压痕深度的减小而升高．     

纳米压痕试验中压头尺寸效应的准连续介质法分析

采用准连续介质法模拟了单晶铝纳米压痕试验过程,分析了不同宽度的刚性矩形压头所引起的初始塑性变形特点,获得了载荷-压深、应变能-位移和硬度-压深曲线.从位错理论的角度分析了压头尺寸对纳米压痕测试结果的影响.研究发现:随着压头宽度的不断增大,压头下方位错形核所需要的载荷和压深程度增大,需要的应变能增加,应变能的变化速率递增,纳米硬度值减小,呈现出明显的尺寸效应.同时表明在一定的压入深度下,硬度与压头尺寸之间存在着一定的比例关系,不同尺寸压头获得的硬度值可以相互换算,但当矩形刚性压头宽度大于或等于120时这种尺寸效应消失.研究结果为纳米压痕实验过程中压头尺寸的选择提供了参考依据.     

灵芝孢子孢壁的弹性模量和硬度研究

采用纳米压痕技术和数值模拟研究灵芝孢子孢壁的弹性模量和硬度.利用原位纳米力学测试与分析系统,测试灵芝孢子孢壁的弹性模量和硬度.得到了载荷--位移曲线图和硬度、弹性模量随压痕深度变化的值.并用有限元方法模拟压痕过程,利用ANSYS软件,按照灵芝孢子孢壁和Berkovich压头的结构,建立了二维计算模型,得到纳米压痕的等效应力分布以及压痕过程中加载和卸载时的载荷--位移曲线.考察了摩擦、压头尖端半径对模拟结果的影响.结果显示:灵芝孢子孢壁的平均弹性模量为2.0GPa,硬度为0.13GPa.模拟结果在趋势上与实验结果有较好的吻合,与理论分析的载荷--位移关系基本一致.摩擦、压头尖端半径小于100nm时对模拟结果不会造成明显影响.研究结果为分析孢子的破壁机理提供必要参数.     

利用圆锥压头微米划痕测试材料断裂韧性

利用Rockwell C金刚石压头对铜、聚碳酸酯、熔融石英和钠钙硅玻璃4种材料进行了微米划痕测试，这是国内首次利用划痕方法测量材料的断裂韧性. 研究表明:在划痕深度较浅时，必须要考虑压头顶端的球体区域，考虑和未考虑压头顶端球体区域时的压头形函数差别较大；考虑压头顶端的球体区域后，采用线弹性断裂力学(LEFM)模型评估断裂韧性的结果和能量尺寸效应(SEL)模型的计算结果接近，与单边切口梁(SENB)法、山形切口梁(CNB)法或压痕断裂(IF)法评估的断裂韧性相吻合，而未考虑压头顶端球体区域时计算断裂韧性的结果偏大；采用SEL模型评估断裂韧性时，按照投影接触面积等效的压头半顶角评估的断裂韧性相对按照周长等效的压头半顶角评估的断裂韧性误差更小，与LEFM模型的评估结果更接近.      

纳米压痕法测磁控溅射铝薄膜屈服应力

为了在考虑残余应力下测量出磁控溅射铝薄膜的屈服应力,提出了一种实验测量方法,通过曲率测试法和球形压头纳米压痕法测出磁控溅射铝薄膜的屈服应力．建立球形压痕力学模型,并用ANSYS对球形压痕进行力学有限元仿真,利用直流磁控溅射技术在硅基上淀积一层1 μm厚的铝薄膜,首先通过曲率测试法测量膜内等双轴残余应力,再利用最小二乘曲线拟合法从薄膜/基底系统的球形压头纳米压痕实验数据中提取出铝薄膜的屈服应力,测得磁控溅射铝薄膜的屈服应力为371 MPa．该方法也可以用来研究其他材料的薄膜和小体积材料的力学特性．     

压头不同晶向下纳米压痕的多尺度研究

为了研究压头晶体各向异性对纳米压痕的影响,采用多尺度准连续介质(QC)法模拟了不同晶向Ni压头与Ag薄膜的纳米压痕过程。通过对比不同晶向下压头在薄膜上触发的原子滑移,发现压头的晶向引起的界面失配位错在很大程度上决定薄膜开启初始原子滑移系的难易。然后对比了压头在不同晶向下测得的薄膜纳米硬度,发现其计算值是一样的。最后研究压头表面和压痕表面的正应力和切应力的分布,分析了应力分布与原子滑移系的关系。     

基于粗粒化分子动力学的自由水与水化硅酸钙孔隙水冻结模拟

水化硅酸钙是水泥基材料的主要水化产物,其孔隙内的水分是影响水泥基材料抗冻性的主要因素。本文基于粗粒化分子动力学方法研究水化硅酸钙孔隙水的冻结机制,针对水的粗粒化P₄粒子和水化硅酸钙胶体颗粒,建立了水化硅酸钙孔隙水的冻结模型。根据此模型计算了不同孔径孔隙水冰点,分析了水泥基材料孔径孔隙在冻融破坏中的危害程度;模拟得到了水化硅酸钙孔隙内水的冻结分布特征和密度分布特征。研究工作表明,本文建立的模型有效提高了分子动力学模拟水化硅酸钙孔隙水冻结问题的规模,为后续进行水泥基材料的冻融破坏分析提供了研究基础。     

血红细胞力学性能的纳米压痕实验和有限元模拟

采用纳米压痕技术和有限元方法研究了血红细胞的生物力学性能. 进行了血红细胞的纳米压痕实验, 得到了血红细胞的材料参数和变形形貌; 在实验基础上, 建立了血红细胞的三维有限元模型, 模拟了血红细胞的压痕载荷-位移曲线, 并考虑了参数效应. 数值模拟结果和实验数据符合很好. 通过改变压头与材料之间的摩擦系数和压头曲率半径等参数, 比较了载荷-位移曲线的变化情况. 研究表明摩擦系数对压痕载荷-位移曲线和应力分布影响很小, 而压头曲率对载荷-位移曲线的影响明显.     

氮化钛沉积膜的摩擦性能研究

采用等离子电弧沉积法在9Crl8钢表面制备了厚约0．5μm的TiN薄膜，通过显微硬度测试以及纳米压痕和纳米划痕试验，对比考察了9Crl8钢及其表面T|N薄膜的机械和摩擦性能．结果表明，9Crl8钢及其表面T．N沉积膜的纳米硬度分别为8GPa和38GPa，弹性模量分别为250GPa和580GPa，9Crl8、TiN和有机薄膜的摩擦系数分别为0．40、0．12和0．10；TiN沉积膜可显著提高基体钢的承载和耐磨能力．     

NANOINDENTATION SIMULATION OF PE/POSS UNDER DIFFERENT SHAPES OF INDENTERS

In this paper,the nanoindentation simulation on the two models of neat polyethylene(PE) and the polyethylene incorporated with 25wt% POSS(POSS-PE) is performed to reveal the reinforcing mechanism of the mechanical properties.The influence of the indenter shapes on nanoindentation is researched by using three different shapes of diamond indenters(cube-corner indenter,cylindrical indenter with spherical tip and cylindrical indenter with flat tip).The molecular mechanics method is adopted to eliminate the temp...     

Nanocontact between BCC tungsten and FCC nickel using the quasicontinuum method

The nanocontact between BCC tungsten and FCC nickel is investigated by using the multiscale simulation method (quasicontinuum method). The new proposed interatomic potential – Extended Finnis-Sinclair potential is adopted and compared with the conventional Ackland Finnis-Sinclair potential in the nanoindentation model. A series of multiscale simulations of contact formation, indentation, subsequent pulling, and separation between a tungsten indenter and a nickel substrate are performed by means of the quasicontinuum method. Different plastic mechanisms are observed for different crystal directions and indenter shapes. Besides the adherence between the tungsten indenter and the nickel substrate, the geometrical shape, which is formed by the slip planes inside the substrate, plays a vital role in the material transfer between the indenter and the substrate. The formation and evolution of necking and cracking in the nanocontact model are also discussed.     

高温仪器化压入测试中热接触对位移测量漂移的影响

基于对室温压头和热试样接触后传热过程的分析, 重点研究热接触引起的压头基托热膨胀对高温仪器化压入测试中位移测量漂移的影响. 首先, 通过热传导理论分析, 获得热接触后基托内温度场分布的解析解, 进而研究基托热膨胀引起的位移测量漂移量; 然后, 建立有限元分析模型, 数值模拟高温仪器化压入过程, 验证理论模型的准确性. 研究发现, 压头与热试样接触面间的热传导性质显著影响基托内的温度场分布; 对于不同材料的试样, 接触面间传热性能不同, 基托的热膨胀量差异可以达到几个数量级. 研究结果有助于优化高温压入测试程序, 提高测试的可靠性.      

Size effect in the initiation of plasticity for ceramics in nanoindentation

The indentation size effect has been observed for many years and is usually associated with increasing hardness as the depth of indentation is reduced for pyramidal indenters. The indentation size effect for spherical indenters has recently been associated with an increase in the yield stress of metals proportional to the inverse cube root of indenter radius [Spary, I.J., Bushby, A.J., Jennett, N.M., 2006. On the indentation size effect in spherical indentation. Philos. Mag. 86 (33), 5581-5593]. Here we investigate ceramic materials where the yield point is high enough to be easily distinguished in nanoindentation tests. A robust method for determining the yield point from a nanoindentation test with spherical indenters is presented. The results for a range of ceramics confirm that the increase in yield pressure is directly proportional to the inverse cube root of indenter radius. Furthermore, the yield pressure is also shown to be proportional to the inverse square root of the contact radius. Revisiting data in the literature shows that this inverse square root relationship is also true for pyramidal indenters. This implies that the indentation size effect is driven by the contact area rather than by the depth of indentation or by the indenter radius.     

Nanoindentation modeling of a nanodot-patterned surface on a deformable substrate

A numerical model was developed to simulate the nanoindentation of a Ni nanodot-patterned surface (NDPS) on a deformable Si substrate. Each contacting nanodot on the Si substrate was treated individually in this model and the interaction among the nanodots was considered through the elastic deformation of the Si substrate. The load–deformation relationship for the single-asperity contact between the indenter tip and a nanodot was determined using finite element analysis. A nanoindentation experiment on a Ni NDPS was performed to test the developed model. The simulation and experimental results were found to be in good agreement. The experimentally verified model was used to explore the effects of substrate deformation and surface roughness caused by the Ni nanodots on the nanoindentation behavior. It was found that the effect of the substrate and the effect of roughness must be considered. A detailed study of the substrate deformation shows that the interaction among nanodots, through the substrate, can contribute a considerable portion of the total deformation under a nanodot. The yield strength of the nanodot was found to have a significant effect on the contact deformation, while the elastic modulus was found to have little effect.