Computational diffusion kinetics and its applications in study and design of rare metallic materials

Computational diffusion kinetics(CDK),with a spirit of and being coupled with the computational thermodynamics(CT,or called as the CALPHAD technique),plays increasingly important role in the alloy design/optimization and microstructure control during the processing of advanced metallic materials.This paper is to highlight recent progress of CDK in research with great focus on novel Ti and Zr alloys,which was largely performed in the authors’group.It ends with one representative example of the applications of CDK,coupled with CT,quantitative phase field,and three-dimensional(3D)statistical calculation,in designing the heattreatment schedule for the dual phase(αβ)Ti–6Al–4V alloys.     

Retrieval of column-averaged volume mixing ratio of CO2 with ground-based high spectral resolution solar absorption

The total column-averaged volume mixing ratio of atmospheric carbon dioxide （Xco2） has been retrieved with high spectral resolution solar absorption data obtained from ground-based Fourier transform spectrometer （FTS） measurements at Xichong, a coastal site in the district of Shenzhen in southern China. Based on differential optical absorption spectroscopy （DOAS） theory, the Xco2 was retrieved by finding the best match of observed high spectral resolution solar absorption data and monochromatic radia- tion transfer model calculations. The averaged Xco2 in the whole observation period was about 394.9 ppm. The uncertainty of the retrieval was estimated to be 2.0 ppm （0.51%） by comparing retrievals at two bands. The preliminary results show that Xc% retrieved by this method can be used to validate satellite remote sensing of Xco2.     

Constructal entransy optimizations for insulation layer of steel rolling reheating furnace wall with convective and radiative boundary conditions

Based on the entransy dissipation extremum principle for thermal insulation process, the constructal optimizations for a plane insulation layer of the steel rolling reheating furnace wall with convective and radiative boundary conditions are carried out by taking the minimization of entransy dissipation rate as optimization objective. The optimal construct of the plane insulation layer is obtained. The results show that for the convective heat transfer boundary condition, the optimal constructs of the insulation layer obtained based on the minimizations of the entransy dissipation rate and heat loss rate are obvi- ously different. Comparing the optimal construct obtained based on the minimization of the entransy dissipation rate with that based on the minimization of the heat loss rate, the entransy dissipation rate is reduced by 5.98 %, which makes the global thermal insulation performance of the insulation layer improve. For the combined convective and radiative heat transfer boundary condition, compared the insulation layer having an increasing thickness with that having constant thickness and a decreasing thickness, the entransy dissipation rates are reduced by 16.59 % and 39.72 %, respectively, and the global thermal insulation performance of the insulation layer is greatly improved.There exits an optimal constant coefficient α2,opt which leads to the minimum dimensionless entransy dissipation rate of the insulation layer. The difference between the optimal constant coefficients α2,opt obtained based on the minimizations of the entransy dissipation rate and the maximum temperature gradient of the insulation layer is small. This makes the corresponding thermal stress obtained based on the minimum dimensionless entransy dissipation rate also be small, and the global thermal insulation performance and thermal safety of the insulation layer are improved simultaneously. The results obtained can provide some guidelines for the optimal designs of the insulation layers.     

Crystal structures,antibacterial activity and thermal decomposition kinetics of lanthanide complexes with 4-chloro-2-methoxybenzoic acid and 1,10-phenanthroline

A series of lanthanide complexes [Ln(4-Cl-2-MOBA)3phen]2(Ln=Sm(1), Nd(2), Ho(3), Eu(4), Dy(5), and Tb(6); 4-Cl-2-MOBA=4-chloro-2-methoxybenzoate, phen=1,10-phenanthroline) were synthesized and characterized. The single-crystal X-ray diffraction demonstrates that 1–3 are isomorphous, which present dimeric structures with four 4-Cl-2-MOBA anions function as bridging ligands. Complexes 1 and 4–6 display their characteristic luminescence emission bands of central Ln3?ions. The heat capacities, the thermodynamic functions and the thermogravimetry–Fourier transform infrared spectra of gaseous products of complexes 1–6 were investigated.Their non-isothermal kinetics of the second decomposition stage was studied by the integral isoconversional non-linear method and Stark method. Furthermore, 1–6 exhibited excellent antibacterial activity against Candida albicans,Escherichia coli and Staphylococcus aureu.     

Monitoring dynamic changes of global land cover types:fluctuations of major lakes in China every 8 days during 2000–2010

Remote sensing images can be used to delineate variations in the area of lakes and to assess the influence of environmental changes and human activities.However,because lakes are dynamic,results obtained from individual images acquired on a single date are not representative and do not accurately reflect ongoing changes.In this study,we used 8-day moderate resolution imaging spectroradiometer(MODIS)composite data from 2000 to2010 to map water surface changes over 629 lakes in China.We combined automatic extraction of training data and support vector machine classification to derive the spatial distribution of these large water bodies.The producer’s and user’s accuracies for MODIS images were91.06%and 89.81%,respectively,when compared with interpretation results from 30 m resolution Landsat images taken on similar days.Area changes,variability,inundation intensity,and rainy seasons of the 629 lakes were analyzed based on this multi-temporal lake database.The total area of the 629 lakes increased over the study period,primarily as a result of the expansion of lake areas on the Tibetan Plateau.There were 12 lakes with a maximum area[1,000 km2,and six of these decreased in area from 2000to 2010.The shrinkages of Poyang Lake and Dongting Lake were-54.76 and-25.08 km2/a,respectively.The area of lakes on Tibetan Plateau,in northern Xinjiang,northeastern Inner Mongolia,and northeastern China varied little,while lakes on the Yangtze Plain,in southern Inner Mongolia,and central Xinjiang fluctuated considerably.Inundation intensity increased for lakes on the Tibetan Plateau,in northern Xinjiang,Heilongjiang,and Jilin,while inundation extent decreased in central Xinjiang,southern Tibet,southern Inner Mongolia,Sichuan,and on the Yangtze Plain.This study is an attempt to develop high-frequency specific land cover maps to improve applicability of general land cover maps.The lake products serve as an important supplement to hydrologic data.The lake database enables the generation of new land surface process models,which could improve the precision of simulations,based on more accurate observations of dynamic lake systems.     

Multifractal analysis of resting state fMRI series in default mode network: age and gender effects

Age-related changes of resting state in default mode network （DMN） may provide new clues to the developing mechanism of normal brain as well as early diagnosis and therapy of some neuropsychiatric disorders. The application of multifractal theory to functional magnetic resonance imaging （fMRI） signals has recently raised increasing attention. We aim to explore the multifractal characteristics underlying the resting state functional magnetic resonance imaging （rs-fMRI） series extracted from DMN, and two issues are mainly discussed： （1） whether there exist multifractals in rs-fMRI series; （2） whether it is possible to distinguish between the different ages or genders by means of multifractal characteristics. Results demon- strated the existence of multifractals in rs-fMRI series in DMN. In addition, slight differences between young subjects and middle-aged or elderly subjects can be successfully detected by △asα, a modified measure we proposed. Furthermore, it is revealed that the rs-fMRI series from young subjects possess smaller averaged scale index and weaker long range correlation, while those from middle-aged or elderly people present increasing averaged scale index andstronger long range correlation. Whereas no significant statistical differences has been found between male and female group. Our results, therefore, highlight the potential useful- ness of multifractal analysis in fMRI series of a certain brain region, and provide important insights into healthy aging in DMN.     

A wetness index derived from tree-rings in the Mt. Yishan area of China since 1755 AD and its agricultural implications

Dendroclimatological techniques were employed to investigate the relationship between Chinese Pinus(Pinus tabulaeformis Carr.) growth and climatic variability in the Mt.Yishan region of Shandong Province, China, over the past253 years. Using regression analysis, the wetness index(WI)was reconstructed for the Mt. Yishan area for the period1755–2007 AD based on tree-ring widths; predictor variables accounted for 40 % of the variance. The reconstructed timeseries displayed an increasing trend after the late 1960 s. Both the estimated and the observed WI for May–August were better correlated with precipitation than temperature during the period 1958–2007 AD, indicating that the contribution of precipitation to the WI was larger than temperature in the study area. The reconstructed WI was compared with the dryness/wetness index of China and land areas that were affected by droughts and floods using the agricultural statistics for Shandong Province. In addition, the WI time-series corresponded well with the peanut yield in Shandong Province at high frequency, which may be reasonable in the context of agriculture in Shandong. The 3-, 5- to 6- and 9- to10-year periodicities detected in the time-series suggested that the reconstructed WI in the Mt. Yishan area may be related to large-scale climate variations.     

1970～2012年青海湖流域冷暖季气温变化特征及突变分析

本文以线性倾向估计、累积距平、小波分析、Mann-Kendall检验及滑动t检验等方法对青海湖流域1970~2012冷、暖季及年均气温变化趋势、周期性和突变性进行分析.结果表明:(1)青海湖流域冷、暖季气温及年平均气温均呈显著增长趋势,其中,冷季增长幅度最大(0.45℃/10a),暖季增长最平缓(0.22℃/10a);从各站点的年、季气温变化来看,恰不恰地区增温幅度最大,刚察增幅最小.(2)冷、暖季气温及年均温的累积距平值绝大多数为负值,变化趋势相对一致,以1997年为转折点,1997年之前气候偏冷,之后趋于变暖.其中,年均气温变化幅度最小,冷季变化幅度最大.(3)冷、暖季和全年均存在较为复杂的周期性变化,其中,年平均气温在整个时间序列上存在4a和15a的周期,以15a最为显著;冷、暖季平均气温在短时间尺度上周期性不显著,主要为17a和27a的长时间尺度周期,以17a的变化周期最显著.(4)青海湖流域冷、暖季气温和年平均气温经检验均发生了突变,其中,年平均气温发生于90年代前期,冷、暖季均发生于90年代中期,且均于90年代末进入显著增温阶段.     

4,4＇-二氯甲基联苯自聚合树脂合成条件优化及表征

通过正交实验对4,4＇-二氯甲基联苯（BCMBP）自聚合反应的工艺条件进行优化,对4种影响因素进行考察,得到影响产品比表面积大小因素的顺序为：预聚合时间、预聚合温度、单体浓度和催化剂用量.在优化条件下所得树脂的比表面积为1 512.66 m^2/g,树脂具有丰富的微孔和较高的聚合度.通过氮气吸附-脱附、SEM和热失重实验对树脂的孔径分布、微观形貌和热稳定性进行了研究.     

大强度运动对青年男子淋巴细胞凋亡的影响

设计训练组(T组,14名男性田径运动员)和对照组(C组,14名男性普通大学生)均完成一次大强度运动,并于运动前、运动后即刻以及运动后12h取血液淋巴细胞测定淋巴细胞计数、凋亡率、羟自由基(·OH)和8-氧鸟嘌呤(8-oxodG)含量,对比运动员和普通大学生在一次大强度运动前后淋巴细胞DNA损伤的变化,探讨长期运动训练对淋巴细胞凋亡的影响及其可能机制.结果显示,运动后即刻:组内前后比较,两组所有指标均显著性升高(P<0.05或P<0.01);组间比较,T组指标变化的幅度均低于C组(P<0.01).运动后12h:组内前后比较,C组淋巴细胞凋亡率和8-oxodG含量升高(P<0.01),淋巴细胞计数降低(P<0.01),·OH含量恢复(P>0.05),T组8-oxodG含量升高(P<0.05),其他指标均恢复至运动前水平;组间比较,T组8-oxodG含量升高幅度明显低于C组(P<0.01).以上结果表明:一次大强度运动诱导淋巴细胞自由基产生增多并造成DNA氧化损伤,细胞凋亡增加;长期运动训练则可降低淋巴细胞DNA氧化损伤和细胞凋亡并加速凋亡恢复,防止运动应激后淋巴细胞数量的减少.