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Impact of Initial Soil Conditions on Soil Hydrothermal and Surface Energy Fluxes in the Permafrost Region of the Tibetan Plateau
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作者 Siqiong LUO Zihang CHEN +3 位作者 Jingyuan WANG Tonghua WU Yao XIAO Yongping QIAO 《Advances in Atmospheric Sciences》 SCIE CAS CSCD 2024年第4期717-736,共20页
Accurate initial soil conditions play a crucial role in simulating soil hydrothermal and surface energy fluxes in land surface process modeling.This study emphasized the influence of the initial soil temperature(ST)an... Accurate initial soil conditions play a crucial role in simulating soil hydrothermal and surface energy fluxes in land surface process modeling.This study emphasized the influence of the initial soil temperature(ST)and soil moisture(SM)conditions on a land surface energy and water simulation in the permafrost region in the Tibetan Plateau(TP)using the Community Land Model version 5.0(CLM5.0).The results indicate that the default initial schemes for ST and SM in CLM5.0 were simplistic,and inaccurately represented the soil characteristics of permafrost in the TP which led to underestimating ST during the freezing period while overestimating ST and underestimating SLW during the thawing period at the XDT site.Applying the long-term spin-up method to obtain initial soil conditions has only led to limited improvement in simulating soil hydrothermal and surface energy fluxes.The modified initial soil schemes proposed in this study comprehensively incorporate the characteristics of permafrost,which coexists with soil liquid water(SLW),and soil ice(SI)when the ST is below freezing temperature,effectively enhancing the accuracy of the simulated soil hydrothermal and surface energy fluxes.Consequently,the modified initial soil schemes greatly improved upon the results achieved through the long-term spin-up method.Three modified initial soil schemes experiments resulted in a 64%,88%,and 77%reduction in the average mean bias error(MBE)of ST,and a 13%,21%,and 19%reduction in the average root-mean-square error(RMSE)of SLW compared to the default simulation results.Also,the average MBE of net radiation was reduced by 7%,22%,and 21%. 展开更多
关键词 initial soil conditions soil temperature soil liquid water soil ice surface energy fluxes PERMAFROST
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TREATMENT OF METALS, POLYMER FILMS, AND FABRICS WITHA ONE ATMOSPHERE UNIFORM GLOW DISCHARGE PLASMA(OAUGDP) FOR INCREASED SURFACE ENERGY AND DIRECTIONAL ETCHING 被引量:18
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作者 J. Reece Roth and Z. Y Chen (Plasma Sciences Laboratory, Department of Electrical and Computer Engineering, University of Tennessee, Knoxville, TN 37996-2100, USA) Peter P.- Y Tsai (Textiles and Nonwovens Development Center (TANDEC), University of Tenness 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2001年第6期391-407,共17页
Direct exposure of samples to the active species of air generated by a One Atmosphere Uniform Glow Discharge Plasma (OAUGDP) has been used to etch and to increase the surface energy of metallic surfaces, photoresist, ... Direct exposure of samples to the active species of air generated by a One Atmosphere Uniform Glow Discharge Plasma (OAUGDP) has been used to etch and to increase the surface energy of metallic surfaces, photoresist, polymer films, and nonwoven fab- rics. The OAUGDP is a non-thermal plasma with the classical characteristics of a DC normal glow discharge that operates in air (and other gases) at atmospheric pres- sure. Neither a vacuum system nor batch processing is necessary. A wide range of applications to metals, photoresist, films, fabrics, and polymeric webs can be accom- modated by direct exposure of the workpiece to the plasma in parallel-plate reactors. This technolopy is simple, it produces effects that can be obtained in no other way at one atmosphere; it generates minimal pollutants or unwanted by-products; and it is suitable for individual sample or online treatment of metallic surfaces, wafers, films, and fabrics. Early exposures of solid materials to the OAUGDP required minutes to produce rela- tively small increases of surface energy. These durations appeared too long for com- mercial application to fast-moving webs. Recent improvements in OAUGDP gas com- position, power density, plasma quality, recireulating gas flow, and impedance match- ing of the power supply to the parallel plate plasma reactor have made it possible to raise the surface energy of a variety of polymeric webs (PP, PET PE etc.) to levels of 60 to 70 dynes/cm with one second of exposure. In air plasmas, the high surface ener- gies are not durable, and fall to 50 dynes/cm after periods of weeks to months. Here, we report the exposure of metallic surfaces, photoresist, polymeric films, and nonwo- ven fabrics made of PP and PET to an impedance matched parallel plate OAUGDP for durations ranging from one second to several tens of seconds. Data will be re- ported on the surface energy, wettability, wickability, and aging effect of polymeric films and fabrics as functions of time of exposure, and time after exposure; the rate and uniformity of photoresist etching; and the production of sub-micron structures by OAUGDP etching at one atmosphere. 展开更多
关键词 atmosphere glow discharge plasma surface energy etching of material surface
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Contrasting Characteristics of the Surface Energy Balance between the Urban and Rural Areas of Beijing 被引量:9
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作者 WANG Linlin GAO Zhiqiu +4 位作者 MIAO Shiguang GUO Xiaofeng SUN Ting Maofeng LIU Dan LI 《Advances in Atmospheric Sciences》 SCIE CAS CSCD 2015年第4期505-514,共10页
A direct comparison of urban and rural surface energy balances, as well as a variety of other variables including incoming shortwave/longwave radiation and aerosol optical depth, is conducted for the Beijing metropoli... A direct comparison of urban and rural surface energy balances, as well as a variety of other variables including incoming shortwave/longwave radiation and aerosol optical depth, is conducted for the Beijing metropolitan area. The results indicate that, overall, the urban area receives a smaller amount of incoming shortwave radiation but a larger amount of incoming longwave radiation. However, comparisons in the aerosol optical depth and cloud fraction at the two locations suggest that neither aerosol optical depth nor cloud fraction alone can explain the difference in the incoming shortwave radiation. The urban–rural differences in the incoming longwave radiation are unlikely to be caused by the presence of more abundant greenhouse gases over the urban area, as suggested by some previous studies, given that water vapor is the most dominant greenhouse gas and precipitable water is found to be less in urban areas. The higher incoming longwave radiation observed over the urban area is mostly likely due to the higher temperatures of the ambient air. The urban area is also found to always produce higher sensible heat fluxes and lower latent heat fluxes in the growing season. Furthermore, the urban area is associated with a larger amount of available energy(the sum of sensible and latent heat fluxes) than the rural area, except in May and October when evapotranspiration in the rural area significantly exceeds that in the urban area. This study provides observational evidence of urban–rural contrasts in relevant energy-balance components that plausibly arise from urban–rural differences in atmospheric and land-surface conditions. 展开更多
关键词 aerosol load CLOUD EVAPOTRANSPIRATION surface energy balance URBANIZATION
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An Assessment of Storage Terms in the Surface Energy Balance of a Subalpine Meadow in Northwest China 被引量:5
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作者 王润元 张强 《Advances in Atmospheric Sciences》 SCIE CAS CSCD 2011年第3期691-698,共8页
The heat storage terms in the soil-vegetation-atmosphere system may play an important role in the surface energy budget.In this paper,we evaluate the heat storage terms of a subalpine meadow based on a ficld experimen... The heat storage terms in the soil-vegetation-atmosphere system may play an important role in the surface energy budget.In this paper,we evaluate the heat storage terms of a subalpine meadow based on a ficld experiment conducted in the complex terrain of the eastern Qilian Mountains of Northwest China and their impact on the closure of the surface energy balance under such non-ideal conditions.During the night, the average sum of the storage terms was -5.5 W m,which corresponded to 10.4%of net radiation.The sum of the terms became positive at 0730 LST and negative again at about 1500 LST,with a maximum value of 19 W mobserved at approximately 0830 LST.During the day,the average of the sum of the storage terms was 6.5 W m,which corresponded to 4.0%of net radiation.According to the slopes obtained when linear regression of the net radiation and partitioned fluxes was forced through the origin,there is an imbalance of 14.0%in the subalpine meadow when the storage terms are not considered in the surface energy balance.This imbalance was improved by 3.4%by calculating the sum of the storage terms.The soil heat storage flux gave the highest contribution(1.59%),while the vegetation enthalpy change and the rest of the storage terms were responsible for improvements of 1.04%and 0.77%,respectively. 展开更多
关键词 subalpine meadow complex terrain surface energy balance storage terms
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Estimation of ground heat flux and its impact on the surface energy budget for a semi-arid grassland 被引量:11
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作者 JinQing Zuo JieMin Wang +3 位作者 JianPing Huang WeiJing Li GuoYin Wang HongLi Ren 《Research in Cold and Arid Regions》 2011年第1期41-50,共10页
Three approaches, i.e., the harmonic analysis (HA) technique, the thermal diffusion equation and correction (TDEC) method, and the calorimetric method used to estimate ground heat flux, are evaluated by using obse... Three approaches, i.e., the harmonic analysis (HA) technique, the thermal diffusion equation and correction (TDEC) method, and the calorimetric method used to estimate ground heat flux, are evaluated by using observations from the Semi-Arid Climate and Environment Observatory of Lanzhou University (SACOL) in July, 2008. The calorimetric method, which involves soil heat flux measurement with an HFP01SC self-calibrating heat flux plate buried at a depth of 5 cm and heat storage in the soil between the plate and the surface, is here called the ITHP approach. The results show good linear relationships between the soil heat fluxes measured with the HFP01SC heat flux plate and those calculated with the HA technique and the TDEC method, respectively, at a depth of 5 cm. The soil heat fluxes calculated with the latter two methods well follow the phase measured with the HFP01SC heat flux plate. The magnitudes of the soil heat flux calculated with the HA technique and the TDEC method are close to each other, and they are about 2 percent and 6 percent larger than the measured soil heat flux, respectively, which mainly occur during the nighttime. Moreover, the ground heat fluxes calculated with the TDEC method and the HA technique are highly correlated with each other (R2= 0.97), and their difference is only about 1 percent. The TDEC-calculated ground heat flux also has a good linear relationship with the ITttP-calculated ground heat flux (R2 = 0.99), but their difference is larger (about 9 percent). Furthermore, compared to the HFP01SC direct measurements at a depth of 5 cm, the ground heat flux calculated with the HA technique, the TDEC method, and the ITHP approach can improve the surface energy budget closure by about 6 percent, 7 percent, and 6 percent at SACOL site, respectively. Therefore, the contribution of ground heat flux to the surface energy budget is very important for the semi-arid grassland over the Loess Plateau in China. Using turbulent heat fluxes with common corrections, soil heat storage between the surface and the heat flux plate can improve the surface energy budget closure by about 6 to 7 percent, resulting in a closure of 82 to 83 percent at the SACOL site. 展开更多
关键词 soil heat flux harmonic analysis TDEC method self-calculating heat flux plate surface energy budget
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Nonlinear beam formulation incorporating surface energy and size effect:application in nano-bridges 被引量:3
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作者 A.KOOCHI H.HOSSEINI-TOUDESHKY M.ABADYAN 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2016年第5期583-600,共18页
A nonlinear beam formulation is presented based on the Gurtin-Murdoch surface elasticity and the modified couple stress theory. The developed model theoretically takes into account coupled effects of the energy of sur... A nonlinear beam formulation is presented based on the Gurtin-Murdoch surface elasticity and the modified couple stress theory. The developed model theoretically takes into account coupled effects of the energy of surface layer and microstructures size- dependency. The mid-plane stretching of a beam is incorporated using von-Karman nonlinear strains. Hamilton's principle is used to determine the nonlinear governing equation of motion and the corresponding boundary conditions. As a case study, pull-in instability of an electromechanical nano-bridge structure is studied using the proposed formulation. The nonlinear governing equation is solved by the analytical reduced order method (ROM) as well as the numerical solution. Effects of various parameters including surface layer, size dependency, dispersion forces, and structural damping on the pull- in parameters of the nano-bridges are discussed. Comparison of the results with the literature reveals capability of the present model in demonstrating the impact of nano- scale phenomena on the pull-in threshold of the nano-bridges. 展开更多
关键词 surface energy size effect nonlinear beam formulation electromechanicalnano-bridge pull-in instability
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Free torsional vibration of cracked nanobeams incorporating surface energy effects 被引量:2
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作者 R. NAZEMNEZHAD P. FAHIMI 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2017年第2期217-230,共14页
This paper investigates surface energy effects, including the surface shear modulus, the surface stress, and the surface density, on the free torsional vibration of nanobeams with a circumferential crack and various b... This paper investigates surface energy effects, including the surface shear modulus, the surface stress, and the surface density, on the free torsional vibration of nanobeams with a circumferential crack and various boundary conditions. To formulate the problem, the surface elasticity theory is used. The cracked nanobeam is modeled by dividing it into two parts connected by a torsional linear spring in which its stiffness is related to the crack severity. Governing equations and corresponding boundary conditions are derived with the aid of Hamilton's principle. Then, natural frequencies are obtained analytically, and the influence of the crack severity and position, the surface energy, the boundary conditions, the mode number, and the dimensions of nanobeam on the free torsional vibration of nanobeams is studied in detail. Results of the present study reveal that the surface energy has completely different effects on the free torsionl vibration of cracked nanobeams compared with its effects on the free transverse vibration of cracked nanobeams. 展开更多
关键词 torsional vibration cracked nanobeam surface energy
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EFFECT OF SURFACE ENERGY ON DISLOCATION-INDUCED FIELD IN HALF-SPACE WITH APPLICATION TO THIN FILM-SUBSTRATE SYSTEMS 被引量:1
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作者 Ganyun Huang Bob Svendsen Zhixing Lu 《Acta Mechanica Solida Sinica》 SCIE EI 2009年第5期436-442,共7页
In this work the elastic field of an edge dislocation in a half-space with the effect of surface energy has been obtained. The elastic field is then used to study the image force on the dislocation, the critical thick... In this work the elastic field of an edge dislocation in a half-space with the effect of surface energy has been obtained. The elastic field is then used to study the image force on the dislocation, the critical thickness for dislocation generation in epitaxial thin films with strain mismatch and the yielding strength of thin films on substrates. The results show that the image forces on the dislocation deviate from the conventional solutions when the distance of the dislocation from the free surface is smaller than several times of the characteristic length. Also due to the effect of surface energy, the critical thickness for dislocation generation is smaller than that predicted by the conventional elastic solutions and the extent of the deviation depends on the magnitude of mismatch strain. In contrast, the effect of surface energy on the yielding strength for many practical thin films can be neglected except for some soft ones where the characteristic length is comparable to the thickness. 展开更多
关键词 thin film surface energy effect DISLOCATION HALF-SPACE critical thickness yielding strength
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A universal method to calculate the surface energy density of spherical surfaces in crystals 被引量:1
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作者 Jian Wang Jianjun Bian +1 位作者 Xinrui Niu Gangfeng Wang 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2017年第1期77-82,共6页
Surface energy plays an important role in the mechanical performance of nanomaterials; however, determining the surface energy density of curved surfaces remains a challenge. In this paper, we conduct atomic simulatio... Surface energy plays an important role in the mechanical performance of nanomaterials; however, determining the surface energy density of curved surfaces remains a challenge. In this paper, we conduct atomic simulations to calculate the surface energy density of spherical surfaces in various crystalline metals. It is found that the average surface energy density of spherical surfaces remains almost constant once its radius exceeds 5 nm. Then, using a geometrical analysis and the scaling law, we develop an analytical approach to estimate the surface energy density of spherical surfaces through that of planar surfaces. The theoretical prediction agrees well with the direct atomic simulations, and thus provides a simple and general method to calculate the surface energy density in crystals. 展开更多
关键词 surface energy density NANOPARTICLE NANOCAVITY
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Properties of Low Surface Energy Fluorocarbon Polymers with Fluoro-acrylic Resins 被引量:1
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作者 刘秀生 高万振 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2008年第3期285-288,共4页
The low surface energy fluorocarbon polymer from the synthesized fluoro-acrylic resins was developed. Then the molecule orientation principle of nonpolar and polar functional groups in the polymers was analyzed. And t... The low surface energy fluorocarbon polymer from the synthesized fluoro-acrylic resins was developed. Then the molecule orientation principle of nonpolar and polar functional groups in the polymers was analyzed. And the contact angles of pure water drops on the surfaces of various fluoro-monomer homopolymers and interpolymers were measured. So the relation of polymers' fluoro-content with the surface energy was determined. The distribution of fluoric functional groups in the polymers was investigated. And the test results show that though the total fluorine content of the fluorocarbon polymers is relative few, their surface energy is really low due to the enrichment of fluoro-chains on the polymers surface. 展开更多
关键词 contact angle surface energy POLYMER
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Numerical Evaluation of the Surface Energy of Polyhedral Nanoparticles 被引量:1
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作者 Takuya Uehara Junya Fujiwara 《Materials Sciences and Applications》 2020年第12期837-850,共14页
Nanoparticles have been used widely in various fields, and their size and shape greatly affect the functional properties. Therefore, controlling the morphology of the particles is important, and evaluation of the surf... Nanoparticles have been used widely in various fields, and their size and shape greatly affect the functional properties. Therefore, controlling the morphology of the particles is important, and evaluation of the surface energy is indispensable for that purpose. In this study, the surface energy of nanoparticles was evaluated by numerical simulation and formulated in a polynomial equation. First, molecular dynamics simulations were carried out for variously shaped polyhedral nanoparticles. A cube and an octahedron were introduced as reference shapes, and truncated hexahedrons and truncated octahedrons were created by cutting out their vertices. The surface energy was plotted for various polyhedrons. The lowest energy was observed in an octahedron because of the stability of the (111) plane, and the highest energy was observed in a cube because of the relatively higher energy of the (100) plane. Then, the surface energy was formulated in a polynomial equation, in which the parameters obtained by the molecular-dynamics simulations were introduced. As a result, stability of the octahedron and relative instability of the cube were fairly captured by the proposed polynomial equation, while a slight underestimation was inevitable. Finally, the parameters were revised to continuous numbers to extend the application range. Consequently, an application for various materials, such as a cube having equivalent stability to an octahedron, was demonstrated by imposing rather exaggerated parameters. 展开更多
关键词 surface energy NANOPARTICLE Fcc Crystal Interatomic Potential Molecular Dynamics Computer Simulation
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Adhesion of foulings on surface energy of silicone rubber coatings
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作者 Tian Jun and Xue Qunji 《Acta Oceanologica Sinica》 SCIE CAS CSCD 1999年第1期97-102,共6页
All antifouling paints in use today are effective because toxic ingredients based on heavy metals are included in their formulation, the environmental effects of organotins in seawater have been a topic of much intere... All antifouling paints in use today are effective because toxic ingredients based on heavy metals are included in their formulation, the environmental effects of organotins in seawater have been a topic of much interest and concern in recent years. This study has found that the material of rich silicone rubber on coating surface based on the low discursive component of surface energy makes barnacle settling on them unable to attach permanently and is removed by moving water. The material Permits only small amounts of fouling to attach, such as algae, Ciona intestinalis, because the high polar interaction of coating surface may absorb water to form water film in sea, and cause very low adhesion of the fouling spotes. 展开更多
关键词 COATING low surface energy silicone rubber ANTIFOULING EP/PU
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Influences of Climate Change and Its Interannual Variability on Surface Energy Fluxes from 1948 to 2000
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作者 盛黎 刘树华 Heping LIU 《Advances in Atmospheric Sciences》 SCIE CAS CSCD 2010年第6期1438-1452,共15页
Understanding changes in land surface processes over the past several decades requires knowledge of trends and interannual variability in surface energy fluxes in response to climate change. In our study, the Communit... Understanding changes in land surface processes over the past several decades requires knowledge of trends and interannual variability in surface energy fluxes in response to climate change. In our study, the Community Land Model version 3.5 (CLM3.5), driven by the latest updated hybrid reanalysis-observational surface climate data from Princeton University, is used to obtain global distributions of surface energy fluxes during 1948 to 2000. Based on the climate data and simulation results, long-term trends and interannual variability (IAV) of both climatic variables and surface energy fluxes for this span of 50+ years are derived and analyzed. Regions with strong long-term trends and large IAV for both climatic variables and surface energy fluxes are identified. These analyses reveal seasonal variations in the spatial patterns of climate and surface fluxes; however, spatial patterns in trends and IAV for surface energy fluxes over the past ~50 years do not fully correspond to those for climatic variables, indicating complex responses of land surfaces to changes in the climatic forcings. 展开更多
关键词 climate change surface energy fluxes TRENDS interannual variability
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Changes in Surface Energy Partitioning in China over the Past Three Decades
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作者 Yitian QIAN Pang-Chi HSU Chi-Han CHENG 《Advances in Atmospheric Sciences》 SCIE CAS CSCD 2017年第5期635-649,共15页
Surface energy balance and the partitioning of sensible heat flux(SHF) and latent heat flux(LHF) play key roles in land–atmosphere feedback. However,the lack of long-term observations of surface energy fluxes,not to ... Surface energy balance and the partitioning of sensible heat flux(SHF) and latent heat flux(LHF) play key roles in land–atmosphere feedback. However,the lack of long-term observations of surface energy fluxes,not to mention spatially extensive ones,limits our understanding of how the surface energy distribution has responded to a warming climate over recent decades(1979–2009) at the national scale in China. Using four state-of-the-art reanalysis products with long-term surface energy outputs,we identified robust changes in surface energy partitioning,defined by the Bowen ratio(BR = SHF/LHF),over different climate regimes in China. Over the past three decades,the net radiation showed an increasing trend over almost the whole of China. The increase in available radiative energy flux,however,was balanced by differential partitioning of surface turbulent fluxes,determined by local hydrological conditions. In semi-arid areas,such as Northeast China,the radiative energy was transferred largely into SHF. A severe deficiency in near-surface and soil moistures led to a significant decreasing trend in LHF. The combined effect of increased SHF and decreased LHF resulted in significant upward trends in the BR and surface warming over Northeast China. In contrast,in the wet monsoon regions,such as southern China,increased downward net radiation favored a rise in LHF rather than in SHF,leading to a significant decreasing trend in the BR. Meanwhile,the increased LHF partly cancelled out the surface warming. The warming trend in southern China was smaller than that in Northeast China. In addition to impacts on heat-related events,the changes in the BR also reflected recent cases of extreme drought in China. Our results indicate that information regarding the BR may be valuable for drought monitoring,especially in regions prone to such conditions. 展开更多
关键词 surface energy partitioning Bowen ratio climate change long-term trend
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Surface energy balance of Keqicar Glacier, Tianshan Mountains, China, during ablation period
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作者 Jing Li ShiYin Liu Yong Zhang DongHui Shangguan 《Research in Cold and Arid Regions》 2011年第3期197-205,共9页
The meteorological data of ablation season in 2005 were recorded by two automatic weather stations on Keqicar Glacier, in the southwest Tianshan Mountains of China. One is operated on the glacier near the equilibrium ... The meteorological data of ablation season in 2005 were recorded by two automatic weather stations on Keqicar Glacier, in the southwest Tianshan Mountains of China. One is operated on the glacier near the equilibrium line with an altitude of 4,265 m (Site A) and another is operated on the glacier ablation area with an altitude of 3,700 m (Site B). These data were used to analyze the meteorological conditions and the surface energy balance (SEB) of Keqicar Glacier. Net radiation was directly measured, and turbulent heat fluxes were calculated using the bulk aerodynamic approach, including stability correction. The ablation value of 0.68 m w.e. derived from four ablation stakes is in close correspondence to the modeled value of 0.71 m w.e. During the observation period, net radiation accounts for 81.4% of the total energy with its value of 63.3 W/m2. The rest energy source is provided by the sensible heat flux with a value of 14.4 W/m2. Energy is consumed mainly by melting and evaporation, accotmting for 69.5% and 29.7% of the total energy with their values of 54.0 and 23.0 W/m2, respectively. Radiative energy dominates energy exchanges at the glacier-atmosphere interface, governed by the variation in net shortwave radiation. Net short-wave radiation varies significantly due to the effects of cloudiness and the high albedo caused by solid precipitation. Wind speed influences the turbulent heat fluxes distinctively and sensible heat flux and latent heat flux are much larger in July with high wind speed. 展开更多
关键词 Keqicar Glacier METEOROLOGY surface energy balance net radiation ablation
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Calculation of the Surface Energy of Pure Titanium
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作者 Ye Tiantian Chen Yunjun Department of Materials Science and Enbineering.University of Science and Techmolog,Beijing(100083) 《Rare Metals》 SCIE EI CAS CSCD 1989年第1期54-55,共2页
Anodic oxidation on pure titanium(α-Ti) surface causes the formation ofinterferential films with different colours,mainly golden,pink and blue.The col-our changes with the thickness of the ox-ide film.One of the fact... Anodic oxidation on pure titanium(α-Ti) surface causes the formation ofinterferential films with different colours,mainly golden,pink and blue.The col-our changes with the thickness of the ox-ide film.One of the factors,which influ-ences the growth rate of the film,may bethe grain surface energy.at least at the 展开更多
关键词 TI Calculation of the surface energy of Pure Titanium
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Covalent electron density analysis and surface energy calculation of gold with the empirical electron surface model
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作者 Bao-qin Fu Zhi-lin Li Wei Liu 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2011年第6期676-682,共7页
Based on the empirical electron surface model (EESM),the covalent electron density of dangling bonds (CEDDB) was calculated for various crystal planes of gold,and the surface energy was calculated further.Calculat... Based on the empirical electron surface model (EESM),the covalent electron density of dangling bonds (CEDDB) was calculated for various crystal planes of gold,and the surface energy was calculated further.Calculation results show that CEDDB has a great influence on the surface energy of various index surfaces and the anisotropy of the surface.The calculated surface energy is in agreement with experimental and other theoretical values.The calculated surface energy of the close-packed (111) surface has the lowest surface energy,which agrees with the theoretical prediction.Also,it is found that the spatial distribution of covalent bonds has a great influence on the surface energy of various index surfaces.Therefore,CEDDB should be a suitable parameter to describe and quantify the dangling bonds and surface energy of various crystal surfaces. 展开更多
关键词 surface energy dangling bonds covalent bonds electron density gold
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Ab initio potential energy surface and anharmonic vibration spectrum of NF_(3)^(+)
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作者 陈艳南 徐建刚 +3 位作者 范江鹏 马双雄 郭甜 张云光 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期327-333,共7页
Potential energy surfaces(PESs), vibrational frequencies, and infrared spectra are calculated for NF_(3)^(+) using ab initio calculations, based on UCCSD(T)/cc-p VTZ combined with vibrational configuration interaction... Potential energy surfaces(PESs), vibrational frequencies, and infrared spectra are calculated for NF_(3)^(+) using ab initio calculations, based on UCCSD(T)/cc-p VTZ combined with vibrational configuration interaction(VCI). Based on an iterative algorithm, the surfaces(SURF) program adds automatic points to the lattice representation of the potential function, the one-dimensional and two-dimensional PESs are calculated after reaching a convergence threshold, finally the smooth image of the potential energy surface is fitted. The PESs accurately account for the interaction between the different modes, with the mode q_(6) symmetrical stretching vibrations having the greatest effect on the potential energy change of the whole system throughout the potential energy surface shift. The anharmonic frequencies are obtained when the VCI matrix is diagonalized. Fundamental frequencies, overtones, and combination bands of NF_(3)^(+) are calculated, which generate the degenerate phenomenon between their frequencies. Finally, the calculated anharmonic frequency is used to plot the infrared spectra.Modal antisymmetric stretching ν_(5) and symmetric stretching ν_(6) exhibit a phenomenon of large-intensity borrowing. This study can provide data to support the characterization in the laboratory. 展开更多
关键词 ab initio methods potential energy surfaces vibration frequencies coupled resonance infrared spectra
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Effects of the Soil Heat Flux Estimates on Surface Energy Balance Closure over a Semi-Arid Grassland 被引量:6
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作者 岳平 张强 +2 位作者 牛生杰 成华 王西育 《Acta meteorologica Sinica》 SCIE 2011年第6期774-782,共9页
Soil heat flux is important for surface energy balance (SEB), and inaccurate estimation of soil heat flux often leads to surface energy imbalance. In this paper, by using observations of surface radiation fluxes and... Soil heat flux is important for surface energy balance (SEB), and inaccurate estimation of soil heat flux often leads to surface energy imbalance. In this paper, by using observations of surface radiation fluxes and soil temperature gradients at a semi-arid grassland in Xilingguole, Inner Mongolia, China from June to September 2008, the characters of the SEB for the semi-arid grassland were analyzed. Firstly, monthly averaged diurnal variations of SEB components were revealed. A 30-min forward phase displacement of soil heat flux (G) observed by a fluxplate at the depth of 5-em below the soil surface was conducted and its effect on the SEB was studied. Secondly, the surface soil heat flux (Gs) was computed by using harmonic analysis and the effect of the soil heat storage between the surface and the fluxplate on the SEB was examined. The results show that with the 30-min forward phase displacement of observed G, the slope of the ordinary linear regression (OLR) of turbulent fluxes (H+LE) against available energy (Rn G) increased from 0.835 to 0.842, i.e., the closure ratio of SEB increased by 0.7%, yet energy imclosure of 15.8% still existed in the SEB. When Gs, instead of G was used in the SEB equation, the slope of corresponding OLR of (H+LE) against (Rn-Gs) reached 0.979, thereby the imelosure ratio of SEB was reduced to only 2.1%. 展开更多
关键词 soil heat flux surface energy balance harmonic analysis turbulent fluxes available energy
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Satellite Monitoring of the Surface Water and Energy Budget in the Central Tibetan Plateau 被引量:1
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作者 阳坤 Toshio KOIKE 《Advances in Atmospheric Sciences》 SCIE CAS CSCD 2008年第6期974-985,共12页
The water and energy cycle in the Tibetan Plateau is an important component of Monsoon Asia and the global energy and water cycle. Using data at a CEOP (Coordinated Enhanced Observing Period)-Tibet site, this study ... The water and energy cycle in the Tibetan Plateau is an important component of Monsoon Asia and the global energy and water cycle. Using data at a CEOP (Coordinated Enhanced Observing Period)-Tibet site, this study presents a first-order evaluation on the skill of weather forecasting from GCMs and satellites in producing precipitation and radiation estimates. The satellite data, together with the satellite leaf area index, are then integrated into a land data assimilation system (LDAS-UT) to estimate the soil moisture and surface energy budget on the Plateau. The system directly assimilates the satellite microwave brightness temperature, which is strongly affected by soil moisture but not by cloud layers, into a simple biosphere model. A major feature of this system is a dual-pass assimilation technique, which can auto-calibrate model parameters in one pass and estimate the soil moisture and energy budget in the other pass. The system outputs, including soil moisture, surface temperature, surface energy partition, and the Bowen ratio, are compared with observations, land surface models, the Global Land Data Assimilation System, and four general circulation models. The results show that this satellite data-based system has a high potential for a reliable estimation of the regional surface energy budget on the Plateau. 展开更多
关键词 Tibetan Plateau CEOP microwave land data assimilation surface energy budget satellite products
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