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国家自然科学基金(50505020)

作品数:10 被引量:84H指数:4
相关作者:陈大融汪家道陈皓生李疆刘峰斌更多>>
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10 条 记 录,以下是 1-10
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H_2O分子在Fe(100),Fe(110),Fe(111)表面吸附的第一性原理研究被引量:29
2009年
采用第一性原理研究了H2O分子在Fe(100),Fe(110),Fe(111)三个高对称晶面上的表面吸附.结果表明,H2O分子在三个晶面上的最稳定结构皆为平行于基底表面的顶位吸附结构.H2O分子与三个晶面相互作用的吸附能及几何结构计算结果表明H2O分子与三个晶面的相互作用程度不同,H2O分子与Fe(111)晶面的相互作用最强,其次是Fe(100),相互作用最弱的是Fe(110)表面,而这与晶面原子的排列密度相关.吸附体系的电子结构计算结果也得出了相似的结论.同时电荷布居分析表明,H2O分子与Fe表面相互作用时,O原子与基底原子之间的电荷交换使基底Fe原子表面带负电,导致表面电位降低,也促使Fe表面更易于发生电化学腐蚀反应.
赵巍汪家道刘峰斌陈大融
关键词:第一性原理H2O分子分子吸附
Effect of roughness and wettability of silicon wafer in cavitation erosion被引量:5
2008年
Material damage of silicon wafer with different roughness and wettability was investigated by using the self-made vibration cavitation apparatus in de-ionized water. Various roughness and wettability of sili- con wafer were achieved by changing their morphology and depositing Au, diamond-like carbon films (DLC films) on them. Surface morphology was observed with a scanning electron microscope (SEM) and a surface profilometer, and wettability was characterized by the contact angle measurement. The cavitation erosion results showed that many tiny pits and cracks appeared on the wafer surface as a result of brittle fractures; the number and size of the pits and cracks increased with experiment time, which made material flake away finally; cavitation occurred more easily on the silicon wafer surface with the augment of roughness or contact angle by changing surface morphology or depositing Au, DLC thin film on it, which consequently aggravated cavitation damage.
JIANG NaNa LIU ShiHan CHEN DaRong
关键词:气蚀粗糙度
Electronic structures of the oxygenated diamond (100) surfaces被引量:3
2006年
By means of first principles method on the basis of density functional theory (DFT), the equi- librium geometries and density of states (DOS) of the two oxygenated diamond (100) surfaces, bridging model and on-top model are calculated. The results indicate that there are no surface states located in the band gap of the bridging model of oxygenated dia- mond (100) surface, and the occupied surface states in the valence band are attributed to the non-bonded O 2p orbital, O 2p and C 2p bonding orbitals, and C 2p and H 1s bonding orbitals. By contrast, for the on-top model of oxygenated diamond (100) surface, the unoccupied surface states exist in the band gap, which originate from non-bonded C 2p and O 2p or- bitals. In addition, the occupied surface states in the valence band are induced by non-bonded O 2p or- bital and the C==O π bond.
LIU FengbinWANG JiadaoLIU BingLI XueminCHEN Darong
关键词:电子结构密度功能理论剪切模型
Fluent环境中近壁面微空泡溃灭的仿真计算被引量:35
2008年
基于FLUENT软件环境,采用VOF模型和非稳态方法求解Navier-Stokes方程,模拟了近壁面的空泡溃灭过程,同时计算了空泡溃灭处与壁面的距离对射流强度的影响.结果表明:在近壁面,空泡将形成非对称溃灭,因水锤作用,引发高速水射流在壁面产生高压而形成空蚀破坏;基于FLUENT环境的计算结果与已有的实验和计算结果相符,为研究空泡溃灭和空蚀机制提供了类比的数值计算方法.
李疆陈皓生
关键词:空蚀空泡溃灭
基于有限频域参数的粘弹性润滑剂的参数辨识
2007年
采用频域的传递函数表征粘弹性润滑剂的特征,粘弹性润滑剂的剪切粘度和第一正应力差通过传递函数中的2个特征参数自然频率和阻尼比表征,待测润滑剂的这2个参数可以通过系统辨识的方法获得。对1%的羟乙基纤维素(HEC)水溶液的实验表明,辨识获得的传递函数描述的粘弹性介质特征粘度变化和第一正应力差变化与RS300流变仪测量所得的实验数据吻合。
李疆余必强陈皓生
关键词:粘弹性系统辨识润滑剂频域分析
Affected zone generated around the erosion pit on carbon steel surface at the incipient stage of vibration cavitation被引量:3
2008年
The characteristics of erosion pits on a carbon steel surface were investigated at the incipient stage of cavitation erosion. After a 5-minute experiment performed in an ultrasonic vibration system, needle-like erosion pits appeared on the polished steel surface, and a specially affected zone was formed around the pit. The shape of the pit and the plastic deformation of the affected zone indicate that the me- chanical impaction on the surface is the main reason for the cavitation damage. On the other hand, the iridescent color, the decreased surface hardness and the precipitated carbides on the affected zone prove that the affected zone has experienced a tempering process with the temperature higher than 300°C. The lack of oxygen in the affected zone also proves that it is not a chemical oxygen result. A special phenomenon that a carbon ring forms in the affected zone is explained as a result of the toroidal bubbles' heating effect at the final stage of the bubble collapse.
CHEN HaoShenhLI JiangLIU ShiHanCHEN DaRongWANG JiaDao
一种二元复合结构聚合物减阻涂层的制备被引量:2
2011年
为了通过表面形貌构型实现水下减阻,基于Benard对流理论制备了一种具有二元复合结构的聚合物涂层。采用高压空气喷涂工艺,将涂料喷涂在基体材料上形成液膜;液膜固化后,亚mm级和μm级二元复合的形貌结构在涂层表面自发形成。对液膜体系中温度变化及物料迁移分析的结果表明:溶剂蒸发导致了温度梯度和表面张力梯度的出现,由此引发的界面流和界面变形,是二元复合结构表面形貌形成的主要原因。在清华大学SKLT-1小型高速水洞中,对涂层的减阻性能进行了初步测试。测试结果表明,涂层具有显著的减阻效果。
豆照良汪家道余锋陈大融
关键词:减阻
氧吸附金刚石(100)表面的电子结构被引量:1
2006年
利用基于密度泛函理论的第一原理方法,计算了桥接型和顶接型氧吸附金刚石(100)表面的平衡态几何结构和电子结构.结果表明,桥接型氧吸附金刚石(100)表面带隙中不存在表面态,价带中的占据态主要由O 2p未成键轨道和C-O轨道、C-H轨道作用诱发,而顶接型氧吸附金刚石(100)表面带隙中存在未占据态,来源于C 2p和O 2p的未成键轨道,价带中占据态则由O 2p未成键轨道和C=Oπ键诱发.
刘峰斌汪家道刘兵李学敏陈大融
关键词:氧吸附电子结构
一类特殊的非牛顿介质剪切稀化过程的实验研究被引量:4
2007年
为研究长链分子和表面活性剂对非牛顿流体流变特性的影响,分别在水中添加了羟乙基纤维素以及十二烷基三乙基溴化铵和十二烷基硫酸钠的混合物.流变实验结果显示,前者出现了典型的剪切稀化现象,而后者出现了先切稠后切稀的特殊流变现象.先切稠后切稀这种特殊的流变现象是由于活性剂分子形成的分子团在不同剪切速率下的团聚速率和分散速率不同造成的,溶液的黏度变化与剪切速率有关.结果表明,通过选择合适的添加剂可以调节流体流变特性,非牛顿介质的分类中应当包含这一类黏度非单调变化的流体.
陈皓生陈大融汪家道李永健
关键词:非牛顿介质表面活性剂
Key roles of micro-particles in water on occurrence of cavitation-erosion of hydro-machinery被引量:4
2008年
It has been believed for about one hundred years that the cavitation directly induces the cavitation erosion. It is proposed in this research that cavitation is only the necessary condition but not the sufficient condition of the cavitation erosion. The experiment performed on the rotary disk cavitation system shows that the micro-particles in the fluid play indispensable roles in the cavitation erosion process, and the generation of the erosion pits on the steel surface is also affected by the particles' size. These cracks and deformations on the sample surface indicate that the erosion is the result of the mechanical behavior. Numerical calculations are also provided to support this mechanism.
WANG JiaDao CHEN HaoSheng QIN Li LI Yongdian CHEN DaRong
关键词:气穴现象
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