摘要：Ni/TiO_(2) catalyst is widely employed for photo-driven DRM reaction while the influence of crystal structure of TiO_(2) remains *** this work,the rutile/anatase ratio in supports was successfully controlled by varying the calcination temperature of anatase-TiO_(2).Structural characterizations revealed that a distinct TiO_(x) coating on the Ni nanoparticles(NPs)was evident for Ni/TiO_(2)-700 catalyst due to strong metal-support *** is observed that the TiOx overlayer gradually disappeared as the ratio of rutile/anatase increased,thereby enhancing the exposure of Ni active *** exposed Ni sites enhanced visible light absorption and boosted the dissociation capability of CH4,which led to the much elevated catalytic activity for Ni/TiO_(2)-950 in which rutile ***,the catalytic activity of solar-driven DRM reaction was significantly influenced by the rutile/anatase ***/TiO_(2)-950,characterized by a predominant rutile phase,exhibited the highest DRM reactivity,with remarkable H_(2) and CO production rates reaching as high as 87.4 and 220.2 mmol/(g·h),*** rates were approximately 257 and 130 times higher,respectively,compared to those obtained on Ni/TiO_(2)-700 with *** study suggests that the optimization of crystal structure of TiO_(2) support can effectively enhance the performance of photothermal DRM reaction.

摘要：利用所设计的阶梯试样进行定向凝固试验和模拟,研究定向凝固过程型壳加热温度对单晶高温合金铸件显微组织和“雀斑”形成的影响。分析糊状区的温度场及形貌。结果表明,升高型壳加热温度,一次和二次枝晶间距减小,糊状区液相的渗透率和对流通道的宽度降低,“雀斑”形成倾向性降低,“雀斑”宽度减小,“雀斑”区域枝晶碎片减少。此外,随着型壳加热温度的升高,糊状区液相冷却速率增加,糊状区熔体的冷却时间减少,液体流动对枝晶的破碎程度得到削弱,这进一步降低单晶高温合金铸件“雀斑”形成的倾向性。

摘要：计算机辅助药物发现和人工智能驱动药物设计在制药行业中是减少时间和经济成本的重要策略.其中具有代表性的方法包括虚拟筛选、蛋白质-配体相互作用评估、药物药代动力学性质预测以及药物设计.通常来说,虚拟筛选是药物发现的第一步,其主要目标是识别和发现潜在的先导化合物的候选物.在过去的几十年里,已经开发了多种传统的和基于机器学习的方法来提高虚拟筛选的准确性和速度.本综述总结了传统和机器学习方法在基于结构的虚拟筛选中的应用,讨赖性较弱,且分布非常冷并在j=1处达到峰值,但(0,1,0)振动态的转论了它们的性能、优势和局限性等方面.

摘要：当目标函数是强凸函数时,一般的分数阶梯度下降法不能够使函数收敛到最小值点,只能收敛到一个包含最小值点的区域内或者是发散的.为了解决这个问题,本文提出了自适应分数阶梯度下降法(AFOGD)和自适应分数阶加速梯度下降法(AFOAGD)两种新的优化算法.受到鲁棒控制理论中二次约束和李雅普诺夫稳定性理论的启发,建立了一个线性矩阵不等式去分析所提出的算法的收敛性.当目标函数是L-光滑且m-强凸时,算法可以达到R线性收敛.最后几个数值仿真证明了算法的有效性和优越性.

摘要：The paper proposes a topology optimization method for 1D phononic structures to minimize the tangential component of particle velocity at the objective *** tangential derivative of the boundary integral equation(TDBIE)is employed for the evaluation of the objective function involves the tangential derivative *** topological derivative is derived through the adjoint method and the Neumann boundary condition of the adjoint field is obtained using the *** average topological derivative which is obtained by calculating the average value of the topological derivative in each layer of design domains,is employed for the updating of the level set *** implementations demonstrate the proposed method is effective for the design of the 1D phononic crystals with the objective function involving tangential derivative quantities.

摘要：基于能量守恒定律提出了一种用于预测棒状镁合金样品火焰蔓延时间的判据,该判据表明火焰蔓延时间主要受合金材料和样品尺寸影响。控制体的初始温度和起燃温度以及样品的S/l_c比值(样品横截面面积/横截面周长)是火焰蔓延时间的决定性因素。火焰蔓延时间正比于ΔH(将单位质量的样品从初始温度加热到起燃温度所需的能量)和S/l_c比值,这在Mg-8.5Al-0.5Zn-0.2Mn、Mg-2.7Nd-0.4Zn-0.6Zr和Mg-4.0Y-3.3Nd-0.5Zr镁合金中得到验证。对于尺寸相同的样品,Mg-8.5Al-0.5Zn-0.2Mn合金样品有着最大的ΔH以及最长的火焰蔓延时间;对于材质、长度和横截面面积相同的样品,圆形横截面样品的S/lc比值最大,其抗火焰蔓延性能也最佳。

摘要：Monitoring the electrophysiology activity of neurons and blood calcium signals can enable a better understanding of disease-related neural system ***,currently,in situ calcium ion monitoring tools are scarce and exhibit low integration and limited *** this letter,we propose an implantable probe with an integrated in situ Ag/AgCl reference electrode(ISA/ARE)that can monitor action potential(AP)and Ca^(2+) concentrations.

摘要：锂硫电池因其高理论能量密度、环境友好和低廉的成本而被认为是前景广阔的新型储能设备,但在放电后半程中缓慢的还原动力学严重阻碍其实际应用.虽然各种先进的正极材料改善了反应动力学,但硫还原反应(SRR)的复杂机理给提高锂硫电池性能设下许多障碍.深入研究其电催化机理是指导阴极材料设计和应用的重要环节.本文将揭示从Li_(2)S_(3);向Li_(2)_(S))(2)/Li_(2)_(S)的转化机制,即揭示从液相多硫化物到固相多硫化物的硫还原反应.以Ti、V、Fe、Co和Ni单原子催化剂为正极催化材料,建立基于密度泛函理论计算的电催化模型.中间产物^(*)LiS、^(*)LiS_(2)被用作预测反应路径、速率决定步骤和过电位的描述因子.这项工作解释了放电后期可溶多硫化物向不溶多硫化物的转化机理,为设计先进的高性能锂硫电池电催化剂提供了指导.

摘要：以著名的LiB_(3)O_(5)为模板,通过增强其结构中B_(2)O_(5)的夹角使双折射更小,在封闭体系中通过高温溶液法获得了两种新的用于制造零级波片的双折射晶体Li_(2)MLaB_(18)O_(30)(M=Rb,Cs).有趣的是,相邻的B_(2)O_(5)接近垂直排列,使得它们表现出比商用石英晶体(Δn~0.0092在可见光区域)小得多的双折射率(分别为0.0032@532 nm和0.0027@532 nm).此外,Li_(2)MLaB_(18)O_(30)(M=Rb,Cs)晶体的紫外截止边均低于200 nm,表明它们可用作深紫外区域的零级波片材料.

摘要：Significant aerodynamic engine instability can occur during the operation of marine gas turbines as airflow enters the compressor through a 90°turning and causes inlet *** study adopts the method of simulating board equivalence to provide the target distortion flow field for ship *** characteristics of the flow field behind the simulated board are obtained through experiments and numerical simulations,through which the relationship between the height of the simulated board and the total pressure distortion is ***,the study summarizes the prediction formula to achieve a distortion prediction of 0.8%–7.8%.In addition,this work analyzes the effects of drilling methods and diameters on flow nonuniformity by drilling holes into the simulation *** results indicate that drilling holes on the board can weaken the nonuniformity of the flow field within a certain range and change the distribution pattern of total pressure in the ***,the total pressure distortion no longer changes significantly when the number of holes is too *** proposed double simulation board structure is capable of obtaining the following two types of distorted flow fields:symmetrical dual lowpressure zones and low-pressure zones with high distortion intensity at the compressor *** distortion equivalent simulation method proposed in this work can obtain various types of distortion spectra,thereby meeting the distortion parameter requirements for the antidistortion testing of marine engines.