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Nuclear volume effects in kinetic isotope fractionation:A case study of mercury oxidation by chlorine species

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Acta Geochimica 2024年第3期43卷 411-423页

作者： Chenlu Yang Yining Zhang Yun Liu research Center for Planetary Science College of Earth and Planetary SciencesChengdu University of TechnologyChengdu 610059China State Key Laboratory of Ore Deposit Geochemistry Institute of GeochemistryChinese Academy of SciencesGuiyang 550081China

It is well-known that the equilibrium isotope fractionation of mercury(Hg)includes classical massdependent fractionations(MDFs)and nuclear volume effect(NVE)induced mass-independent fractionations(MIFs).However,the effect of the NVE on these kinetic processes is not *** total fractionations(MDFs+NVEinduced MIFs)of several representative Hg-incorporated substances were selected and calculated with ab initio calculations in this work for both equilibrium and kinetic ***-induced MIFs were calculated with scaled contact electron densities at the nucleus through systematic evaluations of their accuracy and errors using the Gaussian09 and DIRAC19 packages(named the electron density scaling method).Additionally,the NVE-induced kinetic isotope effect(KIE)of Hg isotopes are also calculated with this method for several representative Hg oxidation reactions by chlorine *** KIEs for 202 Hg/^(198)Hg ranging from−2.27‰to 0.96‰are *** anomalous^(202)Hg-enriched KIEs(δ^(202)Hg/^(198)Hg=0.83‰,0.94‰,and 0.96‰,)caused by the NVE are observed,which are quite different from the classical view(i.e.,light isotopes react faster than the heavy ones).The electron density scaling method we developed in this study can provide an easier way to calculate the NVE-induced KIEs for heavy isotopes and serve to better understand the fractionation mechanisms of mercury isotope systems.

关键词： Nuclear volume effect Kinetic fractionation Hg isotopes Ab initio calculations

Formation of the Tibetan Plateau during the India-Eurasia Convergence:Insight from 3-D Multi-Terrane Thermomechanical Modeling

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Journal of Earth Science 2024年第1期35卷 112-130页

作者： Jile Chen Peimin Zhu Yuefeng Yuan Guifan Chen School of Geophysics and Geomatics China University of GeosciencesWuhan 430074China Geothermal Engineering research Center Three Gorges Geotechnical Consultants Co.Ltd.Wuhan 430074China

Various models exist to explain the formation of the Tibetan Plateau,including“tectonic escape”,“pure shear thickening”,“convective removal of the lithospheric mantle”,and“lower crustal flow”*** first two models are primarily constructed on pure mechanical models but are unable to reasonably explain the tension and shear phenomena inside the *** latter two are rheological dynamic models based on deep geophysical ***,the spatial range of the lower crustal flow and its role in the plateau formation/uplift remain *** multi-terrane viscoplastic thermomechanical models were constructed to simulate the uplift and lithospheric structure change of the Tibetan Plateau during the post-collision stage(since 35 Ma)under the convergence of the Indian *** show that the plateau's formation begins with crustal thickening,blocked by strong terranes at the northern plateau,and expanded laterally to the *** lithosphere thickens gradually and experiences delamination at its base,elevating temperature within the crust and forming partial melting layers in the central *** convergence persists on the southern side,the northern plateau's lithosphere bends downward and undergoes delamination,further heating the crust and promoting the northward and eastward flow of partial melting layers,leading to secondary uplift around the plateau.

关键词： 3-D thermomechanical modeling Tibetan Plateau plateau uplift crustal flow

High-pressure minerals and new lunar mineral changesite-(Y) in Chang’e-5 regolith

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Matter and Radiation at Extremes 2024年第2期9卷 90-97页

作者： Jing Yang Wei Du Center for Lunar and Planetary Sciences Institute of GeochemistryChinese Academy of SciencesGuiyang 550081China State Key Laboratory of Ore Deposit Geochemistry Institute of GeochemistryChinese Academy of Sciences(CAS)Guiyang 550081China CAS Center for Excellence in Comparative Planetology Hefei 230026China

Forty-five years after the Apollo and Luna missions, China’s Chang’e-5 (CE-5) mission collected ∼1.73 kg of new lunar materials from one ofthe youngest basalt units on the Moon. The CE-5 lunar samples provide opportunities to address some key scientific questions related to theMoon, including the discovery of high-pressure silica polymorphs (seifertite and stishovite) and a new lunar mineral, changesite-(Y). Seifertitewas found to be coexist with stishovite in a silica fragment from CE-5 lunar regolith. This is the first confirmed seifertite in returned lunarsamples. Seifertite has two space group symmetries (Pnc2 and Pbcn) and formed from an α-cristobalite-like phase during “cold” compressionduring a shock event. The aftershock heating process changes some seifertite to stishovite. Thus, this silica fragment records different stagesof an impact process, and the peak shock pressure is estimated to be ∼11 to 40 GPa, which is much lower than the pressure condition forcoexistence of seifertite and stishovite on the phase diagram. Changesite-(Y), with ideal formula (Ca_(8)Y)◻Fe^(2+)(PO_(4))_(7) (where ◻ denotes avacancy) is the first new lunar mineral to be discovered in CE-5 regolith samples. This newly identified phosphate mineral is in the form ofcolumnar crystals and was found in CE-5 basalt fragments. It contains high concentrations of Y and rare earth elements (REE), reaching upto ∼14 wt. % (Y,REE)2O3. The occurrence of changesite-(Y) marks the late-stage fractional crystallization processes of CE-5 basalts combinedwith silicate liquid immiscibility. These new findings demonstrate the significance of studies on high-pressure minerals in lunar materials andthe special nature of lunar magmatic evolution.

关键词： evolution minerals basalt

Rebuilding the theory of isotope fractionation for evaporation of silicate melts under vacuum condition

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Acta Geochimica 2024年第4期43卷 661-676页

作者： Jie Wang Yun Liu research Center for Planetary Science College of Earth and Planetary SciencesChengdu University of TechnologyChengdu 610059China State Key Laboratory of Ore Deposit Geochemistry Institute of GeochemistryChinese Academy of SciencesGuiyang 550081China CAS Center for Excellence in Comparative Planetology Hefei 230026China

Isotope eff ects are pivotal in understanding silicate melt evaporation and planetary accretion *** on the Hertz-Knudsen equation,the current theory often fails to predict observed isotope fractionations of laboratory experiments due to its oversimplified ***,we point out that the Hertz-Knudsen-equation-based theory is incomplete for silicate melt evaporation cases and can only be used for situations where the vaporized species is identical to the one in the *** propose a new model designed for silicate melt evaporation under *** model considers multiple steps including mass transfer,chemical reaction,and *** derivations reveal a kinetic isotopic fractionation factor(KIFF orα)αour model=[m(^(1)species)/m(^(2)species)]^(0.5),where m(species)is the mass of the reactant of reaction/nucleation-limiting step or species of diffusion-limiting step and superscript 1 and 2 represent light and heavy isotopes,*** model can eff ectively reproduce most reported KIFFs of laboratory experiments for various elements,i.e.,Mg,Si,K,Rb,Fe,Ca,and ***,the KIFF-mixing model referring that an overall rate of evaporation can be determined by two steps jointly can account for the eff ects of low P_(H2)pressure,composition,and *** addition,we find that chemical reactions,diffusion,and nucleation can control the overall rate of evaporation of silicate melts by using the fitting slope in ln(−ln f)versus ln(t).Notably,our model allows for the theoretical calculations of parameters like activation energy(E_(a)),providing a novel approach to studying compositional and environmental eff ects on evaporation processes,and shedding light on the formation and evolution of the proto-solar and Earth-Moon systems.

关键词： Evaporation Kinetic isotopic fractionation Chemical kinetics Hertz-Knudsen equation CAIS

The anisotropy of suprathermal electrons in the Martian ionosphere

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Earth and Planetary Physics 2024年第3期8卷 459-471页

作者： YuTian Cao Jun Cui XiaoShu Wu WenJun Liang RuiQi Fu HaoYu Lu Planetary Environmental and Astrobiological research Laboratory(PEARL) School of Atmospheric SciencesSun Yat-sen UniversityZhuhai 519082China Key Laboratory of Geospace Environment University of Science&Technology of ChinaChinese Academy of SciencesHefei 230026China Center for Excellence in Comparative Planetology Chinese Academy of SciencesHefei 230026China School of Space and Environment Beihang UniversityBeijing 102206China

Suprathermal electrons are an important population of the Martian ionosphere, either produced by photoionization of atmospheric neutrals or supplied from the Solar Wind (SW). This study is dedicated to an in-depth investigation of the pitch angle distribution of suprathermal electrons at two representative energies, 19−55 eV and 124−356 eV, using the extensive measurements made by the Solar Wind Electron Analyzer on board the Mars Atmosphere and Volatile Evolution. Throughout the study, we focus on the overall degree of anisotropy, defined as the standard deviation of suprathermal electron intensity among different directions which is normalized by the mean omni-directional intensity. The available data reveal the following characteristics: (1) In general, low energy electrons are more isotropic than high energy electrons, and dayside electrons are more isotropic than nightside electrons;(2) On the dayside, the anisotropy increases with increasing altitude at low energies but remains roughly constant at high energies, whereas on the nightside, the anisotropy decreases with increasing altitude at all energies;(3) Electrons tend to be more isotropic in strongly magnetized regions than in weakly magnetized regions, especially on the nightside. These observations indicate that the anisotropy is a useful diagnostic of suprathermal electron transport, for which the conversion between the parallel and perpendicular momenta as required by the conservation of the first adiabatic invariant, along with the atmospheric absorption at low altitudes, are two crucial factors modulating the observed variation of the anisotropy. Our analysis also highlights the different roles on the observed anisotropy exerted by suprathermal electrons of different origins.

关键词： Mars ionosphere suprathermal electron pitch angle distribution

Statistical study of magnetic holes in the upstream region of Mercury’s bow shock

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Earth and Planetary Physics 2024年第2期8卷 326-337页

作者： GuoQiang Wang SuDong Xiao MingYu Wu YuanQiang Chen TieLong Zhang Institute of Space Science and Applied Technology Harbin Institute of TechnologyShenzhen 518055China Shenzhen Key Laboratory of Numerical prediction for Space Storm Harbin Institute of TechnologyShenzhen 518055China Mengcheng National Geophysical Observatory University of Science and Technology of ChinaHefei 230026China Chinese Academy of Sciences Center for Excellence in Comparative Planetology Hefei 230026China Space research Institute Austrian Academy of SciencesGrazAustria

Magnetic holes are magnetic depression structures that exist widely in many plasma *** magnetic holes with durations of>1 s in the solar wind at Mercury’s orbit have drawn much attention,but the properties of the magnetic holes with shorter durations are still ***,we investigate the magnetic holes with durations of 0.1-100 s in the upstream region of Mercury’s bow shock based on observations by the MESSENGER(MErcury Surface,Space ENvironment,GEochemistry,and Ranging)*** can be divided into two groups according to the distribution of their duration:small-duration magnetic holes(SDMHs,0.6 s).The duration of each group approximately obeys a log-normal distribution with a median of~0.25 s and 3 s,*** 1.7%(32.6%)of the SDMHs(LDMHs)reduce the magnetic field strength by more than 50%.For both groups,some structures have a linear or quasi-linear polarization,whereas others have an elliptical *** magnetic hole events in both groups tend to have a higher rate of occurrence when the interplanetary magnetic field strength is *** occurrence rates are also affected by Mercury’s foreshock,which can increase(decrease)the occurrence rate of the SDMHs(LDMHs).This finding suggests that Mercury’s foreshock might be one source of the SDMHs and that the foreshock can destroy some *** observations suggest that a new group of magnetic holes with durations of<0.6 s exist in the upstream region of Mercury’s bow shock.

关键词： magnetic hole solar wind Mercury foreshock

撞击过程对月表氧逸度的改造:来自嫦娥五号月壤中撞击玻璃珠的启示

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Science Bulletin 2024年第10期69卷 1495-1505页

作者：庞润连杨晶李瑞刘世荣李琼朱丹杜蔚刘耘 State Key Laboratory of Ore Deposit Geochemistry Institute of GeochemistryChinese Academy of SciencesGuiyang 550081China Center for Lunar and Planetary Sciences Institute of GeochemistryChinese Academy of SciencesGuiyang 550081China State Key Laboratory of Environmental Geochemistry Institute of GeochemistryChinese Academy of SciencesGuiyang 550081China College of Earth and Planetary Sciences University of Chinese Academy of SciencesBeijing 101408China Center for Excellence in Comparative Planetology Chinese Academy of SciencesHefei 230026China research Center for Planetary Science College of Earth ScienceChengdu University of TechnologyChengdu 610059China

Lunar materials are overall more reducing compared with their terrestrial counterparts,but the mechanism remains to be *** this study,we present a possible explanation for the changes in redox state of the lunar regolith caused by impact events,based on our investigations of the impact glass beads from Chang’e-5 *** glass beads contain iron metal grains and show concentration gradients of FeO and K_(2)O(with or without Na_(2)O)from their rims to *** compositional profiles exhibit errorfunction-like shapes,which indicates a diffusion-limited *** numerical modeling results suggest that the iron metal grains on the surface of the glass beads were generated through the reduction of FeO by elemental K and(or)Na produced during the impact ***,the iron metal grains inside the bead may have formed due to oxygen diffusion driven by redox potential ***,our study suggests that impact processes intensify the local reducing conditions,as evidenced by the presence of calcium sulfide particles within troilite grains that coexist with iron metal grains on the surface of the glass *** study provides insights into the oxygen diffusion kinetics during the formation of iron metal spherules and sheds light on the changes in redox conditions of lunar materials caused by impact events.

关键词： Chang’e-5 Lunar sample Glass beads Impact Oxygen fugacity Redox change

Fast CO_(2) Retrieval Using a Semi-Physical Statistical Model for the High-Resolution Spectrometer on the Fengyun-3D Satellite

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Journal of Meteorological research 2022年第2期36卷 374-386页

作者： Yanmeng BI Peng ZHANG Zhongdong YANG Qian WANG Xingying ZHANG Chengbao LIU Pengmei XU Lizhou HOU Junyu KE Naiqiang ZHANG Innovation Center for Fengyun Meteorological Satellite Key Laboratory of Radiometric Calibration and Validation for Environmental SatellitesNational Satellite Meteorological CenterChina Meteorological AdministrationBeijing 100081 China Academy of Space Technology Beijing 100081 Huayun ShineTek Beijing 100081

China’s Fengyun-3D meteorological satellite launched in December 2016 carries the high-resolution greenhouse-gases absorption spectrometer(GAS)aimed at providing global observations of carbon dioxide(CO_(2)).To date,GAS is one of the few instruments measuring CO_(2) from the near-infrared *** orbit,the oxygen(O_(2))A band suffers a disturbance,and the signal-to-noise ratio(SNR)is significantly lower than the nominal *** leads to difficulties in the retrieval of surface pressure and hence a degradation of the retrieval of the column-averaged CO_(2) dry air mole fraction(XCO_(2))if a full physics retrieval algorithm is ***,a fast CO_(2) inverse method,named semi-physical statistical algorithm,was developed to overcome this *** instrument characteristics,the semi-physical statistical algorithm,and the results of comparison with ground-based measurements over land were introduced in this ***_(2) can be obtained from three bands,namely,the O_(2) A,weak CO_(2),and strong CO_(2) bands,with compensation from the Medium Resolution Spectral Imager-2(MERSI-2)products,ECMWF Reanaly-sis v5(ERA-5)data,and Total Carbon Column Observing Network(TCCON)*** eigenvectors of covariance matrices and the least square fits were used to derive retrieval coefficients and yield cloud-free *** addition to the GAS radiance,some key factors necessary for the accurate estimations of XCO_(2) were also taken as input information(e.g.,air mass,surface pressure,and a priori XCO_(2)).The global GAS XCO_(2) restricted over land was compared against the simultaneously collocated observations from *** retrieval algorithm can mitigate the issue caused by the low SNR of the O_(2) A band to a certain ***,through site-by-site comparisons,GAS XCO_(2) agreed well with the average precision(1σ)of 1.52 ppm and bias of−0.007 *** seasonal variation trends of GAS XCO_(2) can be clearly seen at TCCON sites on the 1-yr timescale.

关键词： carbon dioxide fast retrieval Fengyun-3 high-resolution spectrometer

Strong Spatial Aggregation of Martian Surface Temperature Shaped by Spatial and Seasonal Variations in Meteorological and Environmental Factors

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research in Astronomy and Astrophysics 2022年第1期22卷 156-173页

作者： Yao-Wen Luo Fei Li Jian-Guo Yan Jean-Pierre Barriot Chinese Antarctic Center of Surveying and Mapping Wuhan UniversityWuhan430070China State Key Laboratory of Information Engineering in Surveying Mapping and Remote SensingWuhan UniversityWuhan430070China Observatoire Geodesique de Tahiti University of French PolynesiaBP 6570F-98702 Faa'aTahitiFrench Polynesia

Spatio-temporal variation in the Martian surface temperature(MST)is an indicator of ground level thermal processes and hence a building block for climate ***,the distribution of MST exhibits different levels of spatial aggregation or heterogeneity,and varies in space and ***,the effect of regional differences in meteorological or environmental factors on the MST is not well ***,we investigated the degree of spatial autocorrelation of MST across the surface of Mars globally by Moran’s I,and identified the hot spots by GetisOrd G;*.We also estimated the regional differences in the influence of seasonally dominant factors including thermal inertia(TI),albedo,surface pressure,latitude,dust and slope on MST by a geographically weighted regression *** results indicate(1)that MST is spatially aggregated and hot and cold spots varied over time and space.(2)Hemispheric differences in topography,surface TI and albedo were primarily responsible for the hemispheric asymmetry of hot spots.(3)The dominant factors varied by geographical locations and *** example,the seasonal Hadley circulation dominates at the low-latitudes and CO;circulation at the high-latitudes.(4)Regions with extreme variations in topography and low TI were sensitive to meteorological and environmental factors such as dust and CO_(2)*** conclude that the spatial autocorrelation of MST and the spatial and seasonal heterogeneity of influencing factors must be considered when simulating Martian climate *** work provides a reference for further exploration of Martian climatic processes.

关键词： methods:analytical planets and satellites:surfaces methods:statistical planets and satellites:fundamental parameters