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1.
数学均匀化方法是计算周期复合材料结构的有效方法之一,单胞边界条件施加的合理性直接决定了影响函数控制方程的计算效率和精度,进而影响均匀化弹性参数和摄动位移的计算精度.本文首先将单胞影响函数作为虚拟位移处理,给出了单胞在结构中真实的边界条件,结果表明,四边固支适合作为二维结构单胞边界条件;其次,针对二维结构提出了超单胞周期边界条件,有效提高了影响函数的计算精度,并使用与虚拟位移相对应的虚拟势能泛函验证超单胞周期边界条件的有效性;最后,利用数值分析验证多尺度渐进展开方法的计算精度,强调了二阶摄动的必要性.  相似文献   
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本文在非对称周期势中考虑驱动马达的机械化学耦合,基于布朗马达的工作原理,利用MATLAB数值模拟驱动马达在一定实验条件下的运动特征.我们首先模拟了单个驱动马达的位移和速度随时间变化的图像,然后分别计算了多个驱动马达运动的平均速度,最后计算了不同负载力条件下马达运动速度的系综平均值.模拟结果表明驱动马达在定向运动中存在等待态和行走态,行走步长约为8.2nm,且马达运动具有一定的随机性.通过与实验比较,发现模型计算结果与实验吻合.  相似文献   
4.
高光谱遥感是煤矿区探测的有效方法,对于煤炭资源调查、矿区环境监测等具有重要意义,其中煤、矸石、植被、水体等被遥测物各个方向的反射光谱特征是煤矿高光谱遥感的基础,为此有必要针对典型煤的方向反射光谱特征进行研究。从我国不同矿区收集了无烟煤、烟煤、褐煤三大类煤中的4种典型煤样,4种煤样按煤阶由高到低顺序包括无烟煤一号、贫煤、气煤、褐煤二号,在实验室利用方向反射测量球坐标实验装置测定了每种煤样半球空间各反射方向的近红外波段(1 000~2 500 nm)反射光谱曲线。通过对反射光谱曲线波形分析,发现同一种煤不同反射方向的近红外反射光谱波形基本相似,但在整体反射率大小和局部波形特征上具有差异性,光谱曲线整体反射率越大,吸收谷越明显。随反射角增大,4种煤在前向反射方向(180°探测方位角)反射光谱曲线均整体上升,在后向反射方向(0°探测方位角)反射光谱曲线高度变化相对较小。在每种煤半球空间各反射方向的反射光谱曲线中,选取了1 400,1 700,1 900,2 200和2 300 nm 5个特征波长,通过分析此5个特征波长处的反射率空间分布极坐标云图,发现4种煤在5个特征波长点处均具有一定的双向反射特征,均表现出较明显的前向反射热点特征和相对较弱的后向反射热点特征,无烟煤一号后向反射热点特征比贫煤、气煤、褐煤二号更明显,贫煤、气煤、褐煤二号随煤阶降低后向反射热点特征逐渐增强。每种煤前、后向反射方向的反射光谱中,通过对5个特征波长处反射率与反射角进行相关性分析,发现前向反射特征波长反射率与反射角近似呈线性函数关系,后向反射特征波长反射率与反射角近似呈高斯函数关系,且高斯函数拟合曲线波峰随煤阶降低向较大反射角度移动。该研究为矿区煤炭高光谱遥感最优探测几何的选择提供了依据,也为矿区煤炭资源精准探测提供了参考。  相似文献   
5.
We present a new full-dimensional diabatic potential energy matrix (DPEM) for electronically nonadiabatic collisions of OH(A 2Σ+) with H2, and we calculate the probabilities of electronically adiabatic inelastic collisions, nonreactive quenching, and reactive quenching to form H2O+H. The DPEM was fitted using a many-body expansion with permutationally invariant polynomials in bond-order functions to represent the many-body part. The dynamics calculations were carried out with the fewest-switches with time uncertainty and stochastic decoherence (FSTU/SD) semiclassical trajectory method. We present results both for head-on collisions (impact parameter b equal to zero) and for a full range of impact parameters. The results are compared to experiment and to earlier FSTU/SD and quantum dynamics calculations with a previously published DPEM. The various theoretical results all agree that nonreactive quenching dominates reactive quenching, but there are quantitative differences between the two DPEMs and between the b=0 results and the all-b results, especially for the probability of reactive quenching.  相似文献   
6.
Yinlan lipid regulatory capsule (YL) is a composite traditional Chinese medicine (TCM) new drug to alleviate hyperlipidemia, while its therapeutic mechanism in vivo was not clarified with nontargeted metabolomics investigation. An animal model was established in rats fed a high-fat diet, and their body weights, body mass index (BMI) and blood cholesterol levels were measured. Serum, liver and kidney tissue samples were also extracted for PXR-CYP3A4-ABCB1-FXR signaling pathway research using PCR and UHPLC–MS. The obtained plasma samples were analyzed by UHPLC-Q-TOF-MS metabolomic investigation, which revealed PXR-CYP3A4-related metabolites and changes induced by YL. Finally, the key metabolites were chosen as index components, and their levels in the serum, liver, small intestine and bile were used for simultaneous UHPLC–MS-MS determination. The results indicated that YL was effective in rebalancing blood TG and TC levels (compared to controls). With respect to the PXR-CYP3A4-ABCB1 pathway, as a result of YL’s effect, gene expression or activity of the two targets decreased significantly in both the liver and kidney. The same trend was observed in the serum samples mentioned above. Metabolomics screening and data revealed that 44 metabolites can be regarded as biomarkers related to hyperlipidemia, fatty acids synthesis, and body energy consumption, as well as synthesis, transportation and exertion of cholesterol. YL’s treatment focused on 26 of them, primarily bile acids, indicating that the antihyperlipidemic effect of this drug lies in its inhibitory activity of cholesterol metabolism. Subsequent analysis of those in vivo components revealed that significant increases (compared to the model group) occurred in the blood, liver, small intestine and bile in groups that received medium and high doses of YL (while the low dose was relatively unchanged). Those target components exhibit a close relationship with PXR and/or CYP3A4. The use of YL repressed PXR expression and subsequently decreased CYP3A4 activity. As a result, synthesis of related bile acids increased, while cholesterol levels decreased, consequently leading to the attenuation of hyperlipidemia. This study comprehensively investigated the antihyperlipidemia mechanism of YL based on its repression of PXR-CYP3A4 activity and related metabolite yield, establishing an accurate method for evaluating the therapeutic effect of YL.  相似文献   
7.
In recent several years, the tensor force, one of the most important components of the nucleon–nucleon force, has been implemented in time-dependent density functional theories and it has been found to influence many aspects of low-energy heavy-ion reactions, such as dissipation dynamics, sub-barrier fusions, and low-lying vibration states of colliding partners. Especially, the effects of tensor force on fusion reactions have been investigated from the internuclear potential to fusion crosssections systematically. In this work, we present a mini review on the recent progress on this topic. Considering the recent progress of low-energy reaction theories, we will also mention more possible effects of the tensor force on reaction dynamics.  相似文献   
8.
“复杂氧化还原电对电极电势的计算”一直是大学化学教学的难点,以此为例开展翻转课堂教学:教师引导学生归纳、类比,厘清难溶盐电极、配合物电极与“金属电极”之间的渊源,完成知识的内化;通过课堂翻转,学生将内化的知识在课堂实践中加以展现与深化,掌握复杂电极在标准状态下电极电势的计算方式。实践表明,该教学模式避免了学生线上学习存在的刷屏、刷题、心理浮躁等现象,有助于推动学生进行深度学习,将碎片化的知识迁移、串联、整合成体系,达到学以致用的目的。  相似文献   
9.
对晶体硅(c-Si)太阳能电池而言, 氧化铝(AlOx)是一种广泛使用的钝化材料, 因为它具有优异的沉积保形性和良好的钝化质量. 为了确保AlOx发挥其良好的钝化效果, 在沉积后退火并氢化处理是必不可少的. 通过在AlOx薄膜上沉积氢化氮化硅(SiNx:H)来实现氢化, 利用开尔文探针力显微镜研究了在不同热处理和氢化作用下, AlOx/SiNx:H双层薄膜功函数的变化, 并基于沉积薄膜所含氢与固定电荷展开了讨论. 发现钝化质量和功函数之间有相关性, 影响因素包括薄膜厚度、氢化与热处理顺序.  相似文献   
10.
Effective methods for rapid sorting of cells according to their viability are critical in T cells based therapies to prevent any risk to patients. In this context, we present a novel microfluidic device that continuously separates viable and non-viable T-cells according to their dielectric properties. A dielectrophoresis (DEP) force is generated by an array of castellated microelectrodes embedded into a microfluidic channel with a single inlet and two outlets; cells subjected to positive DEP forces are drawn toward the electrodes array and leave from the top outlet, those subjected to negative DEP forces are repelled away from the electrodes and leave from the bottom outlet. Computational fluid dynamics is used to predict the device separation efficacy, according to the applied alternative current (AC) frequency, at which the cells move from/to a negative/positive DEP region and the ionic strength of the suspension medium. The model is used to support the design of the operational conditions, confirming a separation efficiency, in terms of purity, of 96% under an applied AC frequency of 1.5 × 10Hz and a flow rate of 20 μl/h. This work represents the first example of effective continuous sorting of viable and non-viable human T-cells in a single-inlet microfluidic chip, paving the way for lab-on-a-chip applications at the point of need.  相似文献   
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