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First-principles simulation of Raman spectra and structural properties of quartz up to 5 GPa

Chinese Physics B 2015年第12期24卷 517-525页

作者：刘雷吕超甲庄春强易丽刘红杜建国 key laboratory of earthquake prediction Institute of Earthquake ScienceChina Earthquake Administration Institute of Microstructure and Properties of Advanced Materials Beijing University of Technology

The crystal structure and Raman spectra of quartz are calculated by using first-principles method in a pressure range from 0 to 5 GPa. The results show that the lattice constants（a, c, and V） decrease with increasing pressure and the a-axis is more compressible than the c axis. The Si–O bond distance decreases with increasing pressure, which is in contrast to experimental results reported by Hazen et al. [Hazen R M, Finger L W, Hemley R J and Mao H K 1989 Solid State Communications 725 507–511], and Glinnemann et al. [Glinnemann J, King H E Jr, Schulz H, Hahn T, La Placa S J and Dacol F 1992 Z. Kristallogr. 198 177–212]. The most striking changes are of inter-tetrahedral O–O distances and Si–O–Si angles. The volume of the SiO4^4- tetrahedron decreased by 0.9%（from 0 to 5 GPa）, which suggests that it is relatively *** models of the quartz modes are identified by visualizing the associated atomic motions. Raman vibrations are mainly controlled by the deformation of the Si O4-4tetrahedron and the changes in the Si–O–Si bonds. Vibrational directions and intensities of atoms in all Raman modes just show little deviations when pressure increases from 0 to 5 *** pressure derivatives（dνi/d P） of the 12 Raman frequencies are obtained at 0 GPa–5 GPa. The calculated results show that first-principles methods can well describe the high-pressure structural properties and Raman spectra of quartz. The combination of first-principles simulations of the Raman frequencies of minerals and Raman spectroscopy experiments is a useful tool for exploring the stress conditions within the Earth.

关键词： structural properties Raman mode quartz first principles

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The structure and elasticity of phase B silicates under high pressure by first principles simulation

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Chinese Physics B 2018年第4期27卷 445-450页

作者： Lei Liu Li Yi Hong Liu Ying Li Chun-Qiang Zhuang Long-Xing Yang Gui-Ping Liu key laboratory of earthquake prediction Institute of Earthquake Science China Earthquake Administration Beijing 100036 China National key laboratory of Shock Wave and Detonation Physics Mianyang 621000 China Institute of Microstructure and Properties of Advanced Materials Beijing University of Technology Beijing 100124 China

The structures and elasticities of phase B silicates with different water and iron（Fe） content are obtained by firstprinciples simulation to understand the effects of water and Fe on their properties under high *** lattice constants a and b decrease with increasing water *** the contrary,c increases with increasing water *** the other hand,the b and c decrease with increasing Fe content while a increases with increasing Fe *** decrease of M（metal）–O octahedral volume is greater than the decrease of SiO polyhedral volume over the same pressure *** density,bulk modulus and shear modulus of phase B increase with increasing Fe content and decrease with increasing water *** compressional wave velocity（Vp） and shear wave velocity（Vs） of phase B decrease with increasing water and Fe *** comparisons of density and wave velocity between phase B silicate and the Earth typical structure provide the evidence for understanding the formation of the X-discontinuity zone of the mantle.

关键词： structural and elastic properties phase B silicates high pressure first principles simulation

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High-resolution velocity structure and seismogenic potential of strong earthquakes in the Bamei-Kangding segment of the Xianshuihe fault zone

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Science China Earth Sciences 2023年第9期66卷 1960-1978页

作者： Yan ZHAO Junlun LI Jian XU Huajian YAO Gaohua ZHU Hongfeng YANG Jinyu ZHANG Renqi LU laboratory of Seismology and Physics of the Earth’s Interior School of Earth and Space SciencesUniversity of Science and Technology of ChinaHefei 230026China Mengcheng National Geophysical Observatory University of Science and Technology of ChinaHefei 230026China CAS Center for Excellence in Comparative Planetology Hefei 230026China key laboratory of Marine Geology and Environment CASQingdao 266071China Earth System Science Programme Faculty of ScienceThe Chinese University of Hong KongHong Kong 999077China State key laboratory of earthquake Dynamics Institute of GeologyChina Earthquake AdministrationBeijing 100029China

On September 5,2022,a strong MS6.8 earthquake struck the Luding area in the Kangding-Moxi segment of the Xianshuihe fault zone,which is the northern boundary of the Sichuan-Yunnan rhombic block,causing considerable *** Bamei-Kangding segment of the Xianshuihe fault zone,which is located only tens of kilometers away from the Luding earthquake,has hosted frequent moderate to strong earthquakes in history and is a dangerous earthquake-prone ***,it is critical to investigate the regional seismogenic environment for strong earthquakes and to evaluate the impact of the Luding earthquake in this *** this purpose,we deployed a dense seismic array comprising over 200 short-period nodes in this region from July to August,2022 and acquired seismic ambient noise for over 30 *** the collected data,we conducted surface wave tomography and obtained a high-resolution 3-D shear wave velocity model for the regional shallow crust down to 8 km in *** key findings include:(1)the Bamei-Kangding segment of the Xianshuihe fault zone exhibits widespread stripped lowvelocity anomalies,suggesting shear movements at a relatively high temperature of the Xianshuihe fault zone;the Zheduoshan granitic pluton situated between the Zheduotang and southern Selaha faults shows a distinct low-velocity anomaly,which may be attributed to the localized high-temperature anomaly resulted by a deep magmatic heat source and the recent rapid uplift of the Zheduoshan area;(2)a ten-kilometer-wide high velocity body found below 4 km in depth near the Zhonggu area in the Bamei segment coincides with the seismic gap of moderate to strong earthquakes in this region,suggesting that the high velocity body may act as a seismic barrier;(3)the heterogeneity of the velocity structure along the Bamei-Kangding segment of the Xianshuihe fault zone corresponds to the regional changes in temperature,which reveals the reason for the spatially varying seismogenic potential in this segment;e

关键词： Xianshuihe fault zone Bamei-Kangding segment Luding earthquake Dense-array ambient noise tomography Seismogenic environment for moderate to strong earthquakes

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Structural,elastic,and vibrational properties of phase H:A first-principles simulation

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Chinese Physics B 2017年第6期26卷 362-372页

作者：吕超甲刘雷高阳刘红易丽庄春强李营杜建国 key laboratory of earthquake prediction Institute of Earthquake Science China Earthquake Administration Beijing 100036 China National key laboratory of Shock Wave and Detonation Physics Mianyang 621000 China Department of Mechanical Engineering Texas Tech University Lubbock 79409 USA Institute of Microstructure and Properties of Advanced Materials Beijing University of Technology Beijing 100124 China

Phase H（MgSiO4H2）, one of the dense hydrous magnesium silicates（DHMSs）, is supposed to be vital to transporting water into the lower mantle. Here the crystal structure, elasticity and Raman vibrational properties of the two possible structures of phase H with Pm and P2/m symmetry under high pressures are evaluated by first-principles simulations. The cell parameters, elastic and Raman vibrational properties of the Pm symmetry become the same as the P2/m symmetry at～ 30 GPa. The symmetrization of hydrogen bonds of the Pm symmetry at ～ 30 GPa results in this structural transformation from Pm to P2/m. Seismic wave velocities of phase H are calculated in a range from 0 GPa to 100 GPa and the results testify the existence and stability of phase H in the lower mantle. The azimuthal anisotropies for phase H are A（P0）= 14.7%,A（S0）= 21.2%（P2/m symmetry） and A（P0）= 16.4%, A（S0）= 27.1%（Pm symmetry） at 0 GPa, and increase to A（P30）= 17.9%,A（S30）= 40.0%（P2/m symmetry） and A（P30）= 19.2%, A（S30）= 37.8%（Pm symmetry） at 30 GPa. The maximum V P direction for phase H is [101] and the minimum direction is [110]. The anisotropic results of seismic wave velocities imply that phase H might be a source of seismic anisotropy in the lower mantle. Furthermore, Raman vibrational modes are analyzed to figure out the effect of symmetrization of hydrogen bonds on Raman vibrational pattern and the dependence of Raman spectrum on pressure. Our results may lead to an in-depth understanding of the stability of phase H in the mantle.

关键词： phase H elastic properties Raman properties first principles

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Deep tectonics and seismogenic mechanisms of the seismic source zone of the Jishishan M_(s)6.2 earthquake on December 18,2023,at the northeast margin of the Tibetan Plateau

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Earth and Planetary Physics 2024年第3期8卷 514-521页

作者： Qiong Wang ShuYu Li XinYi Li Yue Wu PanPan Zhao Yuan Gao key laboratory of earthquake prediction Institute of Earthquake ForecastingChina Earthquake AdministrationBeijing 100036China Institute of Geophysics China Earthquake AdministrationBeijing 100081China

On December 18,2023,an M_(s)6.2 earthquake occurred in Jishishan,Gansu Province,*** earthquake happened in the eastern region of the Qilian Orogenic Belt,which is situated at the forefront of the NE margin of the Tibetan Plateau(i.e.,Qinghai-Tibet Plateau),encompassing a rhombic-shaped area that intersects the Qilian-Qaidam Basin,Alxa Block,Ordos Block,and South China *** this study,we analyzed the deep tectonic pattern of the Jishishan earthquake by incorporating data on the crustal thickness,velocity structure,global navigation satellite system(GNSS)strain field,and *** discovered that the location of the earthquake was related to changes in the crustal *** results showed that the Jishishan M_(s)6.2 earthquake occurred in a unique position,with rapid changes in the crustal thickness,Vp/Vs,phase velocity,and S-wave *** epicenter of the earthquake was situated at the transition zone between high and low velocities and was in proximity to a low-velocity ***,the source area is flanked by two high-velocity anomalies from the east and *** principal compressive strain orientation near the Lajishan Fault is primarily in the NNE and NE directions,which align with the principal compressive stress direction in this *** some areas of the Lajishan Fault,the principal compressive strain orientations show the NNW direction,consistent with the direction of the upper crustal fast-wave polarization from local earthquakes and the phase velocity azimuthal *** features underscore the relationship between the occurrence of the Jishishan M_(s)6.2 earthquake and the deep inhomogeneous structure and deep tectonic *** NE margin of the Tibetan Plateau was thickened by crustal extension in the process of northeastward expansion,and the middle and lower crustal materials underwent structural deformation and may have been filled with salt-containing fluids during the extension *** presence

关键词： Jishishan M_(s)6.2 earthquake crustal structure anisotropy stress and strain seismogenic mechanism northeast margin of the Tibetan Plateau

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Lithogeochemistry of Volcanic Rocks and Hosted Melt Inclusions in Wudalianchi,Heilongjiang,China

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Journal of Earth Science 2009年第5期20卷 771-783页

作者：李霓樊祺诚孙谦孙如波 Institute of Geology China Earthquake Administration Wudalianchi earthquake and Volcano Observatory Heilongjiang Earthquake Administration

Wudalianchi（五大连池） volcanoes are famous Quaternary ones with fairly good volcanic landscape in Northeast *** volcanic rocks are phonotephrite,tephri-phonolite,trachyandesite,and basaltic trachyandesite with SiO2 contents of 47.3 wt.%-54.2 wt.%.The characteristic of high K2O content in Wudalianchi volcanic rocks suggests that they probably share a common potassic magma *** magma evolutions of Wudalianchi volcanic rocks are similar,while the new eruption prod-ucts of Laoheishan（老黑山） and Huoshaoshan（火烧山） volcanoes are slightly more evolved than the old eruption materials,i.e.,the magma of the new eruptions in 1719-1721 from the above two volcanoes is the evolved magma in underground *** main phenocrysts of Wudalianchi volcanic rocks are olivines,clinopyroxenes,and some characteristic K-rich *** various-shaped melt inclu-sions are found in olivine phenocrysts from new eruption products of Laoheishan and Huoshaoshan *** electron microprobe（EMP） analyzing,the contents of SiO2 and total alkali show a wide range,suggesting that the pre-eruptive magma was probably more complicated,or the melt inclusions were rather *** the basis of EMP results,it is believed that the sulfur degassing rate from this new eruption was much higher than that of the millennium eruption of Tianchi（天池） volcano,while the chlorine degassing rate was a magnitude lower than that of Tianchi volcano.

关键词： Wudalianchi volcanic rock Laoheishan volcano Huoshaoshan volcano melt inclusion.

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Study on the characteristics of rock failure strain and acoustic emission field for two parallelling faults with the same slip direction including asperities

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Acta Seismologica Sinica(English Edition) 2002年第4期15卷 374-382页

作者：焦明若张国民马胜利马宏生 Resources and Civil Engineering School Northeastern University Shenyang 110006 ChinaSeismological Bureau of Liaoning Province Shenyang 110031 ChinaLaboratory of Tectonophysics China Seismological Bureau Beijing 100029 China Center for Analysis and prediction China Seismological Bureau Beijing 100036 China Institute of Geology China Seismological Bureau Beijing 100029 China

By dealing with strain and acoustic emission (AE) data for two parallelling faultss instability and failure with the same slip direction including asperities, the temporal-spatial evolution of strain and AE field distribution on the asperity of parallelling faults is analyzed. Furthermore the failure process of asperities and interaction among the asperities, i.e., positive and negative seismicity are discussed. Results show that instability and failure for the parallelling faults is a kind of negative seismicity.

关键词： experiment asperity instability negative seismicity numerical simulation

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Static Stress Triggering Effects Related with M_s8.0 Wenchuan earthquake

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Journal of Earth Science 2010年第1期21卷 32-41页

作者：朱航闻学泽 State key laboratory of earthquake Dynamics earthquake Administration of Sichuan Province Institute of earthquake Science China Earthquake Administration

In this article, firstly, we calculated and analyzed the patterns of Coulomb stress changes induced by a sequence of strong earthquakes that occurred in Songpan （松藩）, Sichuan （四川） Province in 1973 and 1976, and discovered that the Ms8.0 Wenchuan （汶川） earthquake of 2008 was epicentered in a relevant Coulomb stress triggering zone. This suggests that the Coulomb stress on the middle and southern segments of the Longmenshan （龙门山） fault zone increased after the Songpan sequence of strong earthquakes, and the stress increment might cause the 2008 Wenchuan earthquake having al- ready occurred somewhat ahead of time. Further, we calculated and analyzed Coulomb stress changes coinduced by both the Songpan sequence and the Ms8.0 Wenchuan mainshock. The result shows that the Ms6.4 Qingchuan （青川） earthquake of May 25, 2008 on the northeastern segment of the Longmenshan fault zone was triggered by the Wenchuan mainshock, and that the southwestern segment of the fault zone is also in the stress triggering zone. Besides, the Maoxian （茂县）-Wenchuan fault （i.e., the back-range fault of the Longmenshan fault zone）, which extends parallel to the seismogenic fault of the Wenchuan earthquake, is in a shadow zone of the Coulomb stress changes, and therefore, its potential hazard for producing a strong or large earthquake in the near future could be reduced relatively.

关键词： 2008 Wenchuan earthquake Songpan strong earthquake sequence static stress triggering Coulomb failure stress change seismic hazard.

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Far-field coseismic displacements associated with the 2011 Tohoku-oki earthquake in Japan observed by Global Positioning System

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Chinese Science Bulletin 2011年第23期56卷 2419-2424页

作者： WANG Min LI Qiang WANG Fan ZHANG Rui WANG YanZhao SHI HongBo ZHANG PeiZhen SHEN ZhengKang State key laboratory of earthquake Dynamics Institute of Geology China Earthquake Administration Beijing 100029 China National earthquake Infrastructure Service China Earthquake Administration Beijing 100036 China Department of Geophysics School of Earth and Space Science Peking University Beijing 100871 China

Analysis of GEONET observations covering the entire territory of Japan shows that the great Tohoku-oki earthquake that occurred on March 11, 2011 off the east coast of Honshu in Japan caused an eastward movement of the northern part of the island by as much as 5.3 m. The GPS data from TEONET in China were used to derive far-field coseismic displacements and to assess the impact of the Tohoku-oki earthquake on crustal deformation in eastern China. The results reveal that the coseismic horizontal displacements induced by the earthquake are the level of millimeters to centimeters in North and Northeast China, with a maximum of 35 mm. Strain analysis also indicates that the earthquake resulted in an increase in the tensile strain on the north-northeast trending faults in North and Northeast China. The tensile strain imposed on the Yilan-Yitong and Dunhua-Mishan faults is more significant than that imposed on the faults in North China; the maximum normal strain reaches about 40 nano-strain. Considering that the static Coulomb stress loaded on the faults is limited, its effect on the regional seismic activity may not be significant.

关键词：地震相东北部全球定位系统 OKI 位移观测日本远场北东向断裂

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Internal structures and high-velocity frictional properties of Longmenshan fault zone at Shenxigou activated during the 2008 Wenchuan earthquake

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earthquake Science 2014年第5期27卷 499-528页

作者： Yu Wang Shengli Ma Toshihiko Shimamoto Lu Yao Jianye Chen Xiaosong Yang Honglin He Jiaxiang Dang Linfeng Hou Tetsuhiro Togo State key laboratory of earthquake Dynamics Institute of GeologyChina Earthquake Administration National Center for Active Fault Studies Institute of GeologyChina Earthquake Administration earthquake Administration of Zhejiang Province Seismotectonics Research Group Institute of Earthquake and Volcano GeologyNational Institute of Advanced Industrial Science and Technology

This paper reports internal structures of a wide fault zone at Shenxigou,Dujiangyan,Sichuan province,China,and high-velocity frictional properties of the fault gouge collected near the coseismic slip zone during the 2008 Wenchuan *** offset and horizontal displacement at the trench site were 2.8 m（NW side up）and 4.8 m（right-lateral）,*** fault zone formed in Triassic sandstone,siltstone,and shale about 500 m away from the Yingxiu-Beichuan fault,a major fault in the Longmenshan fault system.A trench survey across the coseismic fault,and observations of outcrops and drill cores down to a depth of 57 m revealed that the fault zone consists of fault gouge and fault breccia of about0.5 and 250-300 m in widths,respectively,and that the fault strikes N62°E and dips 68° to *** conglomerates were recovered beneath the fault in the drilling,so that the fault moved at least 55 m along the coseismic slip zone,experiencing about 18 events of similar *** fault core is composed of grayish gouge（GG） and blackish gouge（BG） with very complex slip-zone *** contains low-crystalline graphite of about 30 %.High-velocity friction experiments were conducted at normal stresses of 0.6-2.1 MPa and slip rates of 0.1-2.1 m/*** GG and BG exhibit dramatic slip weakening at constant high slip rates that can be described as an exponential decay from peak friction coefficient lpto steadystate friction coefficient lssover a slip-weakening distance *** of GG and BG is characterized by overlapped slip-zone structures and development of sharp slickenside surfaces,*** of our data with those reported for other outcrops indicates that the high-velocity frictional properties of the Longmenshan fault zones are quite uniform and the high-velocity weakening must have promoted dynamic rupture propagation during the Wenchuan earthquake.

关键词： Wenchuan earthquake - Longmenshan faultsystem - Shenxigou fault zone Fault zone structures High-velocity friction

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