Diffusive search with spatially dependent resetting

We consider a stochastic search model with resetting for an unknown stationary target $a\in \mathbb{R}$ with known distribution $\mu$. The searcher begins at the origin and performs Brownian motion with diffusion constant $D$. The searcher is also armed with an exponential clock with spatially dependent rate $r=r\left(\cdot \right)$, so that if it has failed to locate the target by the time the clock rings, then its position is reset to the origin and it continues its search anew from there. Denote the position of the searcher at time $t$ by $X\left(t\right)$. Let $E_0^{\left(r\right)}$ denote expectations for the process $X\left(\cdot \right)$. The search ends at time $T_a=inf\{t\ge 0:X\left(t\right)=a\}$. The expected time of the search is then ${\int }_{\mathbb{R}}\left(E_0^{\left(r\right)}{T}_a\right)\mu \left(da\right)$. Ideally, one would like to minimize this over all resetting rates $r$. We obtain quantitative growth rates for $E_0^{\left(r\right)}{T}_a$ as a function of $a$ in terms of the asymptotic behavior of the rate function $r$, and also a rather precise dichotomy on the asymptotic behavior of the resetting function $r$ to determine whether $E_0^{\left(r\right)}{T}_a$ is finite or infinite. We show generically that if $r\left(x\right)$ is of the order ${\left|x\right|}^{2l}$, with $l>-1$, then $log{E}_0^{\left(r\right)}{T}_a$ is of the order ${\left|a\right|}^{l+1}$; in particular, the smaller the asymptotic size of $r$, the smaller the asymptotic growth rate of $E_0^{\left(r\right)}{T}_a$. The asymptotic growth rate of $E_0^{\left(r\right)}{T}_a$ continues to decrease when $r\left(x\right)\sim \frac{D\lambda }{x^2}$ with $\lambda >1$; now the growth rate of $E_0^{\left(r\right)}{T}_a$ is more or less of the order ${\left|a\right|}^{\frac{1+\sqrt{1+8\lambda }}{2}}$. Note that this exponent increases to $\infty$ when $\lambda$ increases to $\infty$ and decreases to 2 when $\lambda$ decreases to 1. However, if $\lambda =1$, then $E_0^{\left(r\right)}{T}_a=\infty$, for $a\ne 0$. Our results suggest that for many distributions $\mu$ supported on all of $\mathbb{R}$, a near optimal (or optimal) choice of resetting function $r$ in order to minimize ${\int }_{{\mathbb{R}}^d}\left(E_0^{\left(r\right)}{T}_a\right)\mu \left(da\right)$ will be one which decays quadratically as $\frac{D\lambda }{x^2}$ for some $\lambda >1$. We also give explicit, albeit rather complicated, variational formulas for ${inf}_{r\gneqq 0}{\int }_{{\mathbb{R}}^d}\left(E_0^{\left(r\right)}{T}_a\right)\mu \left(da\right)$. For distributions $\mu$ with compact support, one should set $r=\infty$ off of the support. We also discuss this case.     

Sextic centrifugal distortion constants: interplay of density functional and basis set for accurate yet feasible computations

Quantum-chemical calculations assist the analysis of laboratory spectra, and often provide the only means to determine spectroscopic data that cannot be accessed experimentally. Accurate predictions of vibrational and rotational spectroscopic parameters are required for applications in the field of high-resolution molecular spectroscopy. While the accuracy issue of the quantum-chemical calculation of vibrational properties and of equilibrium structures has been addressed in the literature, the same is not true for centrifugal distortion constants that however play an essential role for the interpretation of remote sensing data. In this work, the performance of several model chemistries, rooted mainly in density functional theory, in computing sextic centrifugal distortion constants is assessed employing a benchmark set of molecules of both atmospheric and astrochemical relevance. The Jensen’s (aug-)pcs-n basis sets, different flavours of Dunning’s triple-ζ basis sets and the SNSD basis set, are employed in conjunction with different functionals, and their predictions are benchmarked against experimental and theoretical data at the coupled cluster level of theory. This study also demonstrates the reliability of the calculation of sextic centrifugal distortion constants within the Gaussian16 rev. B.01 program package. Reliable predictions of the sextic centrifugal distortion constants for the gauche- and trans-conformers of ethyl-mercaptan are also presented.     

空中目标多波段红外辐射特性描述与仿真分析

针对空中目标在复杂背景下的探测需求,根据实际目标的运动特性,分析目标在飞行高度、飞行姿态角改变时的辐射特点,基于MODTRAN计算得到大气辐射和衰减数据,建立目标的三维模型、热辐射和反射模型,搭建空中目标的红外成像仿真系统.分析和仿真结果表明:在中波波段,目标尾焰的红外辐射比蒙皮强很多,在长波波段,蒙皮的红外辐射比较强,仿真图像的细节比较多,尾焰的红外辐射虽然有所减弱,红外成像效果依旧很好;相同探测条件下,由于位置越高大气越稀薄,探测器的可探测距离会变得比较远.目标红外辐射特性的分析和红外仿真系统的搭建对缩短红外探测器的研制周期和进一步确定探测器波段和系统分辨率等指标提供了参考依据.     

Preparation and Characterization of Activated Carbon from Microwave and Conventional Heated Almond Shells Using Phosphoric Acid Activation

Activated carbon production from almond shells using phosphoric acid activation agent was achieved by applying both conventional heating and microwave heating in succession. The morphology and surface properties of activated carbon were studied using thermogravimetric and differential gravimetric analysis, Fourier-transform infrared spectroscopy, scanning electron microscopy, and Brunauer–Emmett–Teller analysis. A surface area of 1128 m²/g was achieved by optimizing the microwave power (500?W), microwave application time (15?minutes), conventional heating time (45?minutes), conventional heating temperature (500?°C), and the phosphoric acid:sample ratio (0.7:1). An adsorption capacity of methylene blue of 148?mg/g and an iodine value of 791?mg/g was obtained for the prepared activated carbon.     

基于气象卫星云图的红外吸收带火山特征分析

飞行目标在2.7和4.3 μm谱段附近具有较强的红外辐射，因此这两个波段是探测飞行目标的最佳波段, 但是由于这两个波段并非大气窗口，不被大多数遥感器包含。对这两个谱段的典型地物特性开展研究具有重要的价值，但由于缺乏必要的数据获取能力，经常面临数据缺乏的问题。世界范围内频频有各种程度的火山爆发，火山爆发时温度较高的火山口，是否对于天基红外探测系统典型目标探测有影响，其影响程度如何一直缺乏相关的分析和研究。基于大气辐射传输理论，利用多元统计分析得到波段转换模型，使用气象卫星已有波段获得红外吸收谱段数据。将火点像元视为明火和背景的混合像元，采用目标与背景分离的方式描述高温目标像元的热辐射。对高温目标辐射量，在气溶胶模式固定的情况下，选取观测天顶角、大气可降水量、大气廓线为自变量影响因子。对于背景辐射亮度关系，选取观测天顶角、大气可降水量、大气廓线、背景温度为自变量影响因子, 利用多元统计，建立相关模型。利用对地面热状态非常敏感的风云三号可见光红外扫描辐射计第3通道数据的统计特征探测火山口，获取高温目标在特定波段的表观多维特征并定量分析。火山的多维特征分析，主要从时间和空间两个维度展开。时间维度是对同一火山在不同时间的数据进行分析，空间维度上，主要统计火山口的辐射亮度和亮度温度的空间分布特征。一般气象卫星分辨率较低，单纯利用像元个数表示火山面积, 明显夸大了火山的实际面积，所以基于亚像元特性对火山进行分析，将混合像元火点视为明火和背景的组合，运用线性光谱混合模型，通过混合像元的辐射率精确计算火山高温点的面积和温度，提高定量分析精度。分析结果表明： 通过仿真手段结合多元统计分析方法建立高温目标的波段转换模型是一种可行的预研手段。在2.7~2.95 μm谱段，火山口在弱背景环境下可能会对高温目标造成干扰，而在4.2~4.45 μm谱段，火山口能量远高于一般地表类型，是不可忽视的干扰。     

焦炉上升管内壁结焦炭层的光谱学分析及结焦机理研究

以焦炉上升管内壁结焦炭层块为研究对象，采用X射线荧光光谱仪（XRF）、X射线衍射仪（XRD）、傅里叶红外光谱仪（FTIR）和激光共聚焦拉曼光谱仪（Raman）对结焦炭层的元素组成，以及各结焦炭层的矿物组成、组成结构和分子结构进行测试。分析从结焦炭层块外表面向内表面过渡的各结焦炭层的差异性，揭示焦炉上升管内壁结焦机理。结果表明焦炉上升管内粉尘中Fe，S和Cr极易催化荒煤气中蒽、萘等稠环芳烃化合物成炭，在焦炉上升管内壁形成炭颗粒沉积，为焦油凝结挂壁提供载体，在荒煤气温度降至结焦温度时易结焦积碳。结焦炭层均含有芳香层结构，随着结焦炭层从外表面向内表面过渡，各结焦炭层的面层间距(d₀₀₂)逐渐降低、层片直径(L_a)先降低后增加、层片堆砌高度(Lc)和芳香层数(N)先稳定后增加。结焦炭层石墨化过程是由结焦炭层内表面向外表面进行，主要包括其片层外缘的羧基和部分C-O结构的降解剥离，从而形成高度规整的共轭结构。结焦炭层块中C元素是以结晶碳与无定型碳的混合物形式存在。以上研究为解决焦炉上升管内壁结焦及腐蚀问题，提高换热器换热效率，有效回收焦炉荒煤气显热，降低焦化企业能耗提供实验基础和理论依据。     

Target cell extraction coupled with LC‐MS/MS analysis for screening potential bioactive components in Ginkgo biloba extract with preventive effect against diabetic nephropathy

A rapid and useful approach for screening potential bioactive components in Ginkgo biloba extract (GBE) with preventive effect against diabetic nephropathy (DN) was developed using mesangial cells extraction coupled with high‐performance liquid chromatography tandem mass spectrometry (LC‐MS/MS) analysis. Mesangial cells were first divided into two groups according to their treatments with high glucose or high glucose plus GBE. After incubation for 4, 8, 12, 16, 24 and 48 h, the cells were harvested and extracted with 40% acetic acid in water before LC‐MS/MS analysis. Then, 19 compounds and five metabolites were found to selectively combine with mesangial cells. Notably, compounds including quercetin and rutin were identified or tentatively characterized according to the results of retention time and MS spectra, which is highly consistent with our previous reports that quercetin and rutin are potent protective agents against glomerulosclerosis in DN. Therefore, all these results indicate that target cell extraction coupled with LC‐MS/MS analysis can be successfully applied for predicting the bioactive components in GBE with preventive effect against DN. Copyright © 2014 John Wiley & Sons, Ltd.     

Te溶剂Bridgman法CdMnTe晶体核辐射探测器的制备和表征

碲锰镉(CdMnTe)作为性能优异的室温核辐射探测器材料,可用于环境监测和工业无损检测领域。本文中采用Te溶剂Bridgman法生长In掺杂Cd_0.9Mn_0.1Te晶体,制备成10 mm×10 mm×2 mm大小的室温单平面探测器,研究了该探测器对²⁴¹Am@59.5 keV γ射线源的能谱响应。通过表征红外透过率、电阻率以及探测器能谱响应等参数,综合评定了探测器用CdMnTe晶体的质量、电学和探测器性能。结果表明,晶片的红外透过率均在55%以上,最好可达到60%。采用湿法钝化,100 V偏压下的漏电流由钝化前的9.48 nA降为钝化后的7.90 nA,钝化后的电阻率为2.832×10¹⁰ Ω·cm。在-400 V反向偏压下,CdMnTe探测器对²⁴¹Am@59.5 keV γ射线源的能量分辨率在钝化前后分别为13.53%和12.51%,钝化后的电子迁移率寿命积为1.049×10^-3 cm²/V。研究了探测器的能量分辨率随电压的变化特性,当偏压≤400 V时,探测器的能量分辨率主要由载流子的收集效率决定,而当偏压>400 V时,能量分辨率由漏电流决定。本文研究结果表明,Te溶剂Bridgman法生长的CdMnTe晶体质量较好,电阻率和电子迁移率寿命积满足探测器制备需求。     

Entropic effect implication for change in polymer coils swelling state in the demixing enthalpy recovery of aqueous poly(vinyl methyl ether) solutions

Time‐dependent demixing enthalpy recovery behavior of aqueous poly(vinyl methyl ether) (PVME) solutions exhibits distinct recovery characteristics in three concentration regions. The absence of recovery behavior below a water concentration of 38.3 wt % indicates that the PVME coil is in a globular state. The typically sigmoidal recovery behavior of demixing enthalpy above 38.3 wt % is ascribed to the reswelling of the collapsed polymer coils induced by the entropic effect. The increase in difference between the upper and lower limits indicates the continued swelling of the PVME coils. Above 65 wt %, a dominant diluting effect can be observed, and a much longer phase separation time is needed to reach the expected lower limit. In contrast, the recovery of demixing enthalpy in a wide range of water concentration (from 38.3 to 90 wt %) exhibits the same feature. The infrared spectroscopy results are in agreement with the above macroscopic differential scanning calorimetry results. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2019 , 57, 142–151