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An optimized smearing scheming for first Brillouin zone sampling and its application on thermal conductivity prediction of graphite
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作者 李承业 赵长颖 顾骁坤 《Chinese Physics B》 SCIE EI CAS CSCD 2023年第6期342-351,共10页
We propose an optimized scheme to determine the smearing parameter in the Gaussian function that is used to replace the Dirac δ function in the first Brillouin zone sampling. The broadening width is derived by analyz... We propose an optimized scheme to determine the smearing parameter in the Gaussian function that is used to replace the Dirac δ function in the first Brillouin zone sampling. The broadening width is derived by analyzing the difference of the results from the phase-space method and Gaussian broadening method. As a demonstration, using the present approach,we investigate the phonon transport in a typical layered material, graphite. Our scheme is benchmarked by comparing with other zone sampling methods. Both the three-phonon phonon scattering rates and thermal conductivity are consistent with the prediction from the widely used tetrahedron method and adaptive broadening method. The computational efficiency of our scheme is more than one order of magnitude higher than the two other methods. Furthermore, the effect of fourphonon scattering in phonon transport in graphite is also investigated. It is found that four-phonon scattering reduces the through-plane thermal conductivity by 10%. Our methods could be a reference for the prediction of thermal conductivity of anisotropic material in the future. 展开更多
关键词 GRAPHITE thermal conductivity phonon transport Boltzmann transport equation
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无氧条件下Pd/Ce O_2催化剂表面NH_3还原NO过程中N_2O形成机理研究(英文) 被引量:6
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作者 盛丽萍 马朝霞 +6 位作者 陈思园 楼锦泽 李成业 李松达 张泽 王勇 杨杭生 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2019年第7期1070-1077,共8页
氮氧化物(NO_x,主要包括NO和NO_2)是主要的大气污染物之一,造成酸雨,光化学烟雾和臭氧层破坏等环境问题,甚至直接危害人体健康.化石燃料燃烧和汽车尾气排放是NO_x的主要来源,严格控制火力发电厂,大型锅炉,汽车尾气等污染源中NO_x的排放... 氮氧化物(NO_x,主要包括NO和NO_2)是主要的大气污染物之一,造成酸雨,光化学烟雾和臭氧层破坏等环境问题,甚至直接危害人体健康.化石燃料燃烧和汽车尾气排放是NO_x的主要来源,严格控制火力发电厂,大型锅炉,汽车尾气等污染源中NO_x的排放刻不容缓.以NH_3为还原剂选择性催化还原NO_x(NH_3-SCR)是目前公认的最有效的NO_x脱除技术,然而在催化NO_x还原为N_2的过程中往往伴随着副产物N_2O的生成,降低了催化剂的选择性,造成温室气体效应和破坏臭氧层等环境问题.因此充分理解NH_3-SCR过程中N_2O的形成机理对于抑制N_2O的产生、提高催化剂的选择性十分重要.本文将高度分散的Pd纳米团簇负载在Ce O_2纳米棒上制成Pd/Ce O_2催化剂,结合NH_3-TPD, NO-TPD和原位傅里叶转换红外光谱等表征手段研究了无氧条件下该催化剂上利用NH_3催化还原NO过程中N_2O的产生路径.结果表明, N_2O的形成途径与反应温度和反应气体的浓度相关.当反应气体中NH_3含量大于化学计量比时,在反应温度低于200°C时,由NH_3活化产生的吸附态H·自由基与催化剂表面吸附的NO反应先生成中间产物HON,两个HON分子进一步反应生成N_2O;过量的吸附态的H·自由基也可以与HON反应生成N_2,所以低温下(<200°C)随着反应气氛中NH_3的增加,解离生成的H·也随之增加,促进反应向着生成N_2的方向进行,从而抑制了N_2O的产生.随着反应温度增加, NH_3解离产生的H·被CeO_2表面的O捕获形成羟基,中间产物HON的生成被切断,从而阻断了N_2O的生成.同时由于体系中含有大量的NH_3,吸附态的NO会优先与活化态的NH_3物种反应生成N_2,阻碍了NO解离生成N_2O这一过程的发生,因此NH_3过量情况下在高温下观察不到N_2O的产生,可获得100%的N_2选择性.但是当反应气体中的NH_3含量不足时,即体系中含有过量的NO,当反应温度高于250°C, NO可在催化剂表面解离生成吸附态的N·自由基和O·自由基, N·自由基可进一步与吸附态的NO反应生成N_2O, NO的解离是N_2O生成的速控步,还原性吸附物种对O·自由基的捕捉将有利于N_2O的生成.当反应温度介于200–250°C, NH_3解离产生的H·自由基既可以与NO结合生成HON中间产物,又能被CeO_2表面的O捕获形成羟基,两个反应之间存在竞争,此时N_2O产生与反应气体浓度之间的关系不再呈单调变化. 展开更多
关键词 N2O形成 NO还原 Pd/CeO2催化剂 原位红外 机理研究
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Development of a new index for automated mapping of ratoon rice areas using time-series normalized difference vegetation index imagery 被引量:1
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作者 Bolun li Shaobing PENG +6 位作者 Runping SHEN Zong-liang YANG Xiaoyuan YAN Xiaofeng li Rongrong li chengye li Guangbin ZHANG 《Pedosphere》 SCIE CAS CSCD 2022年第4期576-587,共12页
Over recent decades, the global demand for food has continued to grow, owing to population growth and the loss of arable land. Rice ratooning offers new opportunities for increasing rice production and has received re... Over recent decades, the global demand for food has continued to grow, owing to population growth and the loss of arable land. Rice ratooning offers new opportunities for increasing rice production and has received renewed interest because of the minimal additional labor input required for its adoption. Regular, regional-scale monitoring of the spatial patterns of both traditional and ratoon rice cropping systems provides essential information for agricultural resource management and food security studies. However, the similar phenological characteristics of traditional double rice and ratoon rice cropping systems make it challenging to accurately classify these cropping practices based on satellite observations alone. In this study, we first proposed an improved phenology-based rice cropping area detection algorithm using moderate resolution imaging spectroradiometer (MODIS) normalized difference vegetation index (NDVI) imagery. A new index, ratoon rice index, was then developed to automatically delineate ratoon rice cropping areas with the aid of a base map of rice in Hubei Province, China. The accuracy assessment using ground truth data showed that our approach could map both traditional and ratoon rice cropping areas with high user accuracy (91.25% and 91.43%, respectively). The MODIS-retrieved rice cropping areas were validated using annual agricultural census data, and coefficient of determination (R2) values of 0.60 and 0.41 were recorded for traditional and ratoon rice cropping systems, respectively. The total area of ratoon rice was estimated to be 1 283.6 km2, 5.0% of the total rice cropping area, in Hubei Province in 2016. These demonstrated the feasibility of extracting the spatial patterns of both traditional and ratoon rice cropping systems solely from time-series NDVI and field survey data and strides made in facilitating the timely and routine monitoring of traditional and ratoon rice distribution at subnational level. Given sufficient historical satellite and phenology records, the proposed algorithm had the potential to enhance rice cropping area mapping efforts across a broad temporal scale (e.g., from the 1980s to the present). 展开更多
关键词 cropping area estimationcross correlogram moderate resolution imaging spectroradiometer(MODIS) ratoon rice index spectral matching
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