离心机振动台试验叠环式模型箱边界效应

针对离心机振动台试验中常用的叠环式模型箱,进行了单一均匀土和成层土场地在地震作用下的振动模拟计算,对离心机振动台试验中存在的模型箱效应进行了数值模拟,并结合试验结果对叠环式模型箱边界效应的影响进行了分析.数值模拟与试验结果表明,叠环式模型箱较好地模拟了自由场在地震作用下的真实反应,土层的加速度反应峰值、波形以及Fourier幅值谱与精确解误差较小,较好地消除了边界效应对土体地震动反应的影响.     

不同温度下苯酚密度预测的Monte Carlo模拟

采用构型偏倚Monte Carlo模拟方法,在等温等压系综中比较了CHARMM22、OPLS-aa和Compass分子力场势能模型对不同温度下苯酚密度预测的准确性.模拟过程中,体积变化、构型偏倚链增长、质心的平移和绕质心的旋转移动的概率分别为0.5%、32.5%、33%和34%.模拟结果表明,Compass力场模型能较好地预测苯酚的密度,低温下其预测的相对误差小于2%,但随着温度的升高3种力场模型预测值与实验值的相对误差增加.     

振动平面上粒群运动的离散元模拟

粒群在振动平面上的运动在各种工业过程中广泛存在．为深入认识其复杂的类流体力学特性，对一个矩形振动盒内粒群的运动状态进行了离散元模拟，借助高速动态分析系统进行了同等条件下的电动振动试验台物理试验．通过模拟再现了“巴西果”现象．为考察粒群的松散度，定义了“膨胀系数”指标，通过试验得到了不同料层厚度下“膨胀系数”同振动盒的振幅及振动频率之间的数学关系式．模拟结果证实了计算参数对离散元法模拟结果的影响，通过选择合理的计算参数，模拟结果同试验结果能够很好地吻合．     

基于Galerkin法的新型波形钢腹板箱梁桥动力特性研究

为科学合理地分析波形腹板钢箱-混凝土组合梁的自振特性,综合考虑剪切效应和剪力滞效应,运用Galerkin法和Hamilton原理推导了该桥型的自由振动控制微分方程和自然边界条件。根据自然边界条件,求解出剪切变形效应和剪力滞效应影响下波形腹板钢箱-混凝土组合梁竖向弯曲振动频率的计算公式,将其计算结果与实桥的实测结果、模型试验结果及ANSYS三维有限元结果进行了对比,并对竖向弯曲振动频率的影响因素和基频进行了分析。结果表明：竖向弯曲振动频率计算公式的结果与实桥的实测结果、模型试验的实测结果、ANSYS有限元结果吻合良好,验证了所推导的频率计算公式的正确性;竖向弯曲振动频率随高跨比的增大而增大,当高跨比小于0.05时,竖向弯曲振动频率的增幅较为平缓,当高跨比大于0.05时,竖向弯曲振动频率的增幅较为显著;竖向弯曲振动频率随宽跨比的增大而增大,但整体增幅不明显;竖向弯曲振动频率随波形钢腹板厚度的增加而不断增大,阶数越高,增幅越显著;箱梁剪力滞对竖向弯曲振动频率影响很小,前5阶最大误差仅为6.73%,波形钢腹板剪切变形对竖向弯曲振动频率影响较大,前5阶最大误差已高达51.18%。     

振荡流中圆柱体横流涡激振动特性数值分析

为了探究振荡流效应对涡激振动的影响,本文对振荡流中圆柱体的横流涡激振动进行了数值模拟.对数值模型进行了验证分析,对KC数为25和502种振荡流下的涡激振动进行模拟,得到了圆柱体流体力、位移和涡量云图.结果表明:振荡流能激发圆柱体的多模态振动,且KC数越大多模态特性越明显;在锁定区间主导模态的幅值明显高于其他模态;锁定区...     

车辆-人体系统振动的时域模拟及频谱分析

基于SY6480轻型客车建立了车辆 人体振动系统的12个自由度动力学模型。模型中引入了四轮相关路面激励和人体模型,以能量方程推导出系统的动力学方程,进而对系统的振动过程进行了时域模拟和试验验证。所得的模拟结果比传统的频域模拟结果更精确可靠。对车辆角振动和人体各部位的振动情况谱分析结果表明:车身的角振动能量大约为垂直振动能量的1/4,研究时不能忽略,人体垂直振动的固有频率为2.0～2.5Hz,可为车辆平顺性设计提供参考。     

石墨烯与碳纳米管氢吸附性能的分子模拟

在293.15 K、101.30 kPa的条件下,测定了氢气在石墨烯、单壁碳纳米管和多壁碳纳米管中的储氢密度,对比了同等条件下采用不同力场计算得到的数据,筛选了3种碳材料的最佳计算力场。在此基础上,进一步计算了3种碳材料在0~1 000.00 kPa、77.00~573.15 K条件下的储氢密度。结果表明,Dreiding力场是计算石墨烯吸附储氢密度的最佳力场,Universal力场是计算碳纳米管吸附储氢密度的最佳力场;在给定条件下,3种材料吸附储氢能力强弱排序为石墨烯>单壁碳纳米管>多壁碳纳米管,储氢能力与材料的比表面积及其与氢气的弱结合力紧密相关。该研究结果可为分子模拟碳材料吸附储氢和储氢材料设计提供数据和理论支撑。     

钢-混凝土组合梁的固有频率及其振型

为准确分析考虑剪切滑移效应的钢-混凝土组合梁频率及其振型,根据经典动力学的基本思想和粘结滑移理论,提出了钢-混凝土组合梁考虑剪切滑移效应的位移函数,基于能量法推导了考虑剪切滑移效应的组合梁自由振动方程并得出固有频率及其振型,解决了考虑钢-混凝土组合梁交界面剪切滑移的难题。通过室内试验对试验梁的频率及其振型进行测试,并基于ANSYS对钢-混凝土组合梁进行了仿真模拟分析,将试验梁的测量值、ANSYS仿真模拟分析值与理论解进行对比,结果表明:考虑剪切滑移效应求解钢-混凝土组合梁频率和振型的解析解是正确的,在实际组合梁工程中考虑剪切滑移效应十分必要。     

爆破地震动频率特性诱导结构破坏分析

爆破地震效应是爆破的主要负面效应,目前多采用爆破质点振动速度来表述地震效应的影响程度大小;同时爆破振动频率特性对结构体的破坏程度也有很大的影响作用,并随工程结构特性而异.从爆破震动频率特性的角度,通过理论计算和分析对爆破振动波频率特性诱导结构体破坏作用进行了研究,结果认为结构体对于介质中传来的爆破振动波的选择放大效应.     

在横向气流作用下螺旋管管阵流弹不稳定性的分析

采用平面圆环近似地模拟螺旋管结构，根据描述弯管自由振动的解析表达式对夹角为１３５°两端固支的螺旋管阵扇形结构进行自由振动分析，可半解析地确定各阶频率及解析的振型，再以实验为基础获得在横向气流作用下该螺旋管阵扇形结构的流体力系数，对这一特定的管阵结构的临界流速进行预测，计算结果和实验结果相比较，两者相当一致。     

Vapor-liquid equilibria of CH_4, CO_2 and their binary system CH_4 + CO_2: A comparison between the molecular simulation and equation of state

An accurate knowledge about phase behaviors of CH4,CO2 and their binary mixture is crucial in fields of natural gas liquefaction and refrigeration applications.In this work,two all-atom force fields of Tra PPE-EH and EMP2 were used for the components CH4 and CO2,respectively.Then the vapor-liquid equilibria(VLE)of CH4,CO2 and their binary system were calculated via the NVT-and Np T Gibbs Ensemble Monte Carlo Simulations.Meanwhile the traditional method using Equation of State(Eo S)to correlate the VLE properties was also investigated.The Eo Ss considered in this work were three classic cubic RK,SRK,PR and another advanced molecular-based PC-SAFT equations.For pure components,both molecular simulations and the PC-SAFT Eo S could obtain satisfactory predictions for all the saturated properties.However,the saturated liquid densities calculated by the cubic Eo Ss were not so good.It was also observed that the Tra PPE-EH force field had a good representation for CH4 molecule,while the EMP2 force field was not enough accurate to represent CO2 molecules.For the mixture CH4+CO2,SRK and PR showed the best predictions for the saturated pressure-component property,while good results were also obtained via molecular simulations and PC-SAFT Eo S.It was suggested that special combining rules or binary interaction parameters were important to obtain enough accurate prediction of the mixed phase behavior.Compared with the cubic Eo S,the PC-SAFT and molecular simulation method showed better adaptabilities for both the pure and mixture systems.Besides,the accurate molecular parameters used in the PC-SAFT and molecular simulations could bring about direct and deep understanding about the molecular characteristics.     

数据驱动的精密双原子分子振动能谱研究进展

双原子分子系统因具有结构简单但能谱特征丰富的特点，成为量子力学各种理论模型的试金石和众多衍生应用学科的基本研究工具。其在精密测量、量子操控(如超冷分子)等前沿研究领域已经占据了重要的地位。本文回顾了精密双原子分子振动能谱近年来的研究进展，重点阐述了孙卫国课题组提出的变分代数法(VAM)，并通过分析PO分子的完全振动能谱，对该方法的优点和局限进行了详细讨论。最后，本文通过将该方法纳入更普遍的数据驱动的研究范式，探讨了VAM方法可能的发展方向，以期为获得更高精度的双原子分子振动能谱提供新的启示和思路。     

Molecular dynamics simulation for aggregation phenomena of nanocolloids

Nonequilibrium molecular dynamics (MD) method was used to study the dielectrophoresis (DEP) motion of nanocolloids in non-uniform electric field. By changing the electric field strength and system temperature, aggregation phenomena of nanocolloids was analyzed. Simulation results showed that at normal temperature, though the Brownian force can affect the motion of colloids, the attractive force will increase quickly with the distance between colloids down to 12σ , which makes colloids aggregate. When the Brownian force is weak to colloid's motion, for the enhancement of electric field strength, the DEP force of colloid will increase and so did the attractive force, which finally quickens the aggregate speed. Simulation results also showed that the temperature' enhancement will increase the Brownian force of colloids, hence disturbing the colloids aggregation. Moreover, the DLVO theory was used to study the motion of a pair of interactional colloids, both the potential energy and the attractive force versus distance of colloids were presented, then the latter graph was used to compare with another graph elicited by MD method. Results showed that the two graphs were nearly the same, indicating the MD model accorded with the theory.     

Dynamic Characteristics of the Jet Force on the Flapper of the Pilot Stage in a Flapper Nozzle Servo Valve Under the Flow-Solid Interaction

Nowadays, more and more attention has been paid to improve the performance of the nozzle flapper servo valve. As a core part of nozzle flapper servo valve, the armature assembly is affected by electromagnetic force, jet force and feedback force at the same time. Due to the complex structure of the pilot stage flow field and the high jet pressure, the prediction of the jet force has always been difficult in modeling the transient motion of the servo valve. Whereupon, a numerical simulation method based on the flow-solid interaction(FSI) is applied to observe the variation of the jet force when the flapper is moving. Different parameters are employed to seek a suitable numerical simulation model which can balance the accuracy and computational cost. By comparing with the experiment results, the effectiveness of numerical simulation method in predicting the variation of the jet force and cavitation is verified. By this numerical simulation model, the distribution of flow field and the force on the flapper predicted by the moving and fixed flapper are compared. The results show that more dynamic details are achieved by the transient simulation. By analyzing the numerical simulation results of different inlet pressures and flapper vibration frequencies, the relationship between the movement of the flapper, the flow field distribution, the jet force and the inlet pressure is established, which provides a theoretical basis for the subsequent modeling of the armature assembly.     

Water models for interfacial water simulations

Interfacial water is of fundamental importance in many technological fields, such as biological processes, chemical reactions and lubrications. A prevalent way to study the structure and dynamics of interfacial water is carrying out molecular dynamics simulations with empirical potential water models. However, discrepant results have been reported due to their different charge geometries and target properties. Here we investigated the interfacial water structures on smooth surfaces of varying hydrophobicity at low temperatures by comprehensive molecular dynamics simulations with the prevailing water models. It is shown that the choice of the water model can significantly change the water structure on the hydrophilic surface, while has a minor effect on the contact angle on a hydrophobic surface. Furthermore, zero-dimensional ice pyramids and one-dimensional icicles were formed under the regulation of external charges injected to the substrate or imposed electric field, respectively. These results offer new insights into the water structures on different surfaces and reasonable choice of parameters in molecular simulations, and the development of water models.     

快速成型中胶黏剂与羟基磷灰石粘结行为研究

在羟基磷灰石多孔支架快速成型制造过程中,为了制造出不易发生断裂的骨支架模型,利用分子动力学模拟方法分别对α?氰基丙烯酸正丁酯和α?氰基丙烯酸正辛酯与羟基磷灰石表面之间的胶粘行为进行研究,重点对其结合能进行了对比,并对羟基磷灰石不同表面的原子密度进行了比较.研究结果表明:在羟基磷灰石(100)、(110)和(111)三个不同剪切面中,聚丙烯酸正丁酯和聚丙烯酸正辛酯均与羟基磷灰石(110)剪切面有较大的结合能;聚丙烯酸正辛酯与羟基磷灰石表面的粘结强度大于聚丙烯酸正丁酯与羟基磷灰石表面的粘结强度.羟基磷灰石多孔陶瓷材料沿(110)方向与粘结剂之间的粘结更稳固,不易产生裂缝及断裂等现象.     

抽芯式斜流泵振动频谱的研究

针对大型抽芯式斜流泵机组振动严重,本文采用数值模拟和试验对其振动频谱进行研究。分别对双向FSI模型和单一流体域模型进行比较,模拟结果表明双向FSI模型的有效扬程更加准确,模拟出的内部流场规律符合实际流动。计算得到其内部水力激振的通过频率为24.5 Hz;采用附加质量法对转子部件进行模态分析,得到一阶模态接近44.79 Hz,与实测频率在44.5Hz左右处出现的一个小波峰相符;测试转轴轴心轨迹,得到轴心轨迹为偏心椭圆,转频为4.08 Hz与实测频谱的主振频相同,研究结果表明斜流泵振动主要是由于转子不平衡引起。     

减小动载荷道路破坏的悬架参数研究

选用“95百分位四次幂和力”作为动载荷道路破坏的评价指标,通过一个二自由度四分之一汽车振动模型的仿真,得到了道路破坏与悬架刚度和阻尼参数之间的关系,并从振动的角度给予了解释。此外还分析了道路破坏与道路不平度及载重量之间的关系,为道路友好性悬架的设计提供了理论参考。     

柔性梁横向振动控制的轴向脉冲力法

应用一种新颖的变刚度振动控制原理,提出了采用施加轴向脉冲力,对柔性梁在瞬态振动下的横向振动进行主动控制的方法,并对一根两端铰支梁受瞬态扰动的振动响应控制进行了数值真计算和模型实验。