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Recension of boron nitride phase diagram based on high-pressure and high-temperature experiments
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作者 Ruike Zhang Ruiang Guo +3 位作者 Qian Li Shuaiqi Li Haidong Long Duanwei He 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第10期450-457,共8页
Cubic boron nitride and hexagonal boron nitride are the two predominant crystalline structures of boron nitride.They can interconvert under varying pressure and temperature conditions.However,this transformation requi... Cubic boron nitride and hexagonal boron nitride are the two predominant crystalline structures of boron nitride.They can interconvert under varying pressure and temperature conditions.However,this transformation requires overcoming significant potential barriers in dynamics,which poses great difficulty in determining the c-BN/h-BN phase boundary.This study used high-pressure in situ differential thermal measurements to ascertain the temperature of h-BN/c-BN conversion within the commonly used pressure range(3-6 GPa)for the industrial synthesis of c-BN to constrain the P-T phase boundary of h-BN/c-BN in the pressure-temperature range as much as possible.Based on the analysis of the experimental data,it is determined that the relationship between pressure and temperature conforms to the following equation:P=a+1/bT.Here,P denotes the pressure(GPa)and T is the temperature(K).The coefficients are a=-3.8±0.8 GPa and b=229.8±17.1 GPa/K.These findings call into question existing high-pressure and high-temperature phase diagrams of boron nitride,which seem to overstate the phase boundary temperature between c-BN and h-BN.The BN phase diagram obtained from this study can provide critical temperature and pressure condition guidance for the industrial synthesis of c-BN,thus optimizing synthesis efficiency and product performance. 展开更多
关键词 hexagonal boron nitride phase diagram high temperature and high pressure cubic boron nitride phase transition differential thermal analysis
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Pressure Prediction for High-Temperature and High-Pressure Formation and Its Application to Drilling in the Northern South China Sea 被引量:4
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作者 WANGZhenfeng XIEXinong 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 2004年第3期640-643,共4页
There are plentiful potential hydrocarbon resources in the Yinggehai and Qiongdongnan basins in the northern South China Sea. However, the special petrol-geological condition with high formation temperature and pressu... There are plentiful potential hydrocarbon resources in the Yinggehai and Qiongdongnan basins in the northern South China Sea. However, the special petrol-geological condition with high formation temperature and pressure greatly blocked hydrocarbon exploration. The conventional means of drills, including methods in the prediction and monitoring of underground strata pressure, can no longer meet the requirements in this area. The China National Offshore Oil Corporation has allocated one well with a designed depth of 3200 m and pressure coefficient of 2.3 in the Yinggehai Basin (called test well in the paper) in order to find gas reservoirs in middle-deep section in the Miocene Huangliu and Meishan formations at the depth below 3000 m. Therefore, combined with the '863' national high-tech project, the authors analyzed the distribution of overpressure in the Yinggehai and Qiongdongnan basins, and set up a series of key technologies and methods to predict and monitor formation pressure, and then apply the results to pressure prediction of the test well. Because of the exact pressure prediction before and during drilling, associated procedure design of casing and their allocation in test well has been ensured to be more rational. This well is successfully drilled to the depth of 3485 m (nearly 300 m deeper than the designed depth) under the formation pressure about 2.3 SG (EMW), which indicate that a new step in the technology of drilling in higher temperature and pressure has been reached in the China National Offshore Oil Corporation. 展开更多
关键词 formation pressure high temperature OVERpressure pressure prediction Yinggehai Basin South China Sea
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Pre-Drilling Prediction Techniques on the High-Temperature High-Pressure Hydrocarbon Reservoirs Offshore Hainan Island,China 被引量:2
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作者 ZHANG Hanyu LIU Huaishan +6 位作者 WU Shiguo SUN Jin YANG Chaoqun XIE Yangbing CHEN Chuanxu GAO Jinwei WANG Jiliang 《Journal of Ocean University of China》 SCIE CAS CSCD 2018年第1期72-82,共11页
Decreasing the risks and geohazards associated with drilling engineering in high-temperature high-pressure(HTHP) geologic settings begins with the implementation of pre-drilling prediction techniques(PPTs). To improve... Decreasing the risks and geohazards associated with drilling engineering in high-temperature high-pressure(HTHP) geologic settings begins with the implementation of pre-drilling prediction techniques(PPTs). To improve the accuracy of geopressure prediction in HTHP hydrocarbon reservoirs offshore Hainan Island, we made a comprehensive summary of current PPTs to identify existing problems and challenges by analyzing the global distribution of HTHP hydrocarbon reservoirs, the research status of PPTs, and the geologic setting and its HTHP formation mechanism. Our research results indicate that the HTHP formation mechanism in the study area is caused by multiple factors, including rapid loading, diapir intrusions, hydrocarbon generation, and the thermal expansion of pore fluids. Due to this multi-factor interaction, a cloud of HTHP hydrocarbon reservoirs has developed in the Ying-Qiong Basin, but only traditional PPTs have been implemented, based on the assumption of conditions that do not conform to the actual geologic environment, e.g., Bellotti's law and Eaton's law. In this paper, we focus on these issues, identify some challenges and solutions, and call for further PPT research to address the drawbacks of previous works and meet the challenges associated with the deepwater technology gap. In this way, we hope to contribute to the improved accuracy of geopressure prediction prior to drilling and provide support for future HTHP drilling offshore Hainan Island. 展开更多
关键词 pre-drilling prediction techniques formation PORE pressure high-temperature high-pressure hydrocarbon RESERVOIRS HAINAN Island Ying-Qiong Basin
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Effects of a carbon convection field on large diamond growth under high-pressure high-temperature conditions 被引量:2
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作者 胡美华 李尚升 +4 位作者 马红安 宿太超 李小雷 胡强 贾晓鹏 《Chinese Physics B》 SCIE EI CAS CSCD 2012年第9期525-530,共6页
Large diamond crystals were successfully synthesized by a FeNi C system using the temperature gradient method under high-pressure high-temperature conditions. The assembly of the growth cell was improved and the growt... Large diamond crystals were successfully synthesized by a FeNi C system using the temperature gradient method under high-pressure high-temperature conditions. The assembly of the growth cell was improved and the growth process of diamond was investigated. Effects of the symmetry of the carbon convection field around the growing diamond crystal were investigated systematically by adjusting the position of the seed crystal in the melted catalyst/solvent. The results indicate that the morphologies and metal inclusion distributions of the synthetic diamond crystals vary obviously in both symmetric and non-symmetric carbon convection fields with temperature. Moreover, the finite element method was applied to analyze the carbon convection mode of the melted catalyst/solvent around the diamond crystal. This work is helpful for understanding the growth mechanism of diamond. 展开更多
关键词 DIAMOND high pressure and high temperature temperature gradient method carbonconvection field
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The effect of high-pressure and high-temperature drying treatments on the deresination ratio of Pinus massoniana 被引量:2
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作者 Jie YANG Hong-Bin WEI +1 位作者 Fan LI Song-Lin YI 《Forestry Studies in China》 CAS 2013年第1期76-80,共5页
This study investigated the possibility of using high-temperature and high-pressure schedules to treat Pinus massoniana wood in order to reduce its oil content. We discuss the effect of drying temperature, absolute pr... This study investigated the possibility of using high-temperature and high-pressure schedules to treat Pinus massoniana wood in order to reduce its oil content. We discuss the effect of drying temperature, absolute pressure and the holding time on the deresination ratio in R massoniana wood and establish a model for the deresination ratio as a function of drying temperature, absolute pressure and holding time. The results show that the deresination ratio in- creased from 7.14% to 87.04% when the temperature increased from 150 to 200℃, the absolute pressure from 0.1 to 0.6 MPa and the holding time from 1 to 3 h. The optimal model for the deresination ratio (Y) with drying temperature (t), absolute pressure (p) and holding time (r) is: Y = 0.284t + 113.424p + 3.518r - 42.486, with a coefficient of determina- tion (R2) of 0.930. Compared with drying temperature and holding time, absolute pressure plays the more significant role in the deresination process. This study could provide a theoretical basis to the practical production of R massoniana wood. 展开更多
关键词 deresination ratio high temperature high pressure holding time Pinus massoniana
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Wireless contactless pressure measurement of an LC passive pressure sensor with a novel antenna for high-temperature applications 被引量:1
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作者 李晨 谭秋林 +3 位作者 薛晨阳 张文栋 李运芝 熊继军 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第4期540-545,共6页
In this paper, a novel antenna is proposed for high-temperature testing, which can make the high-temperature pressure characteristics of a wireless passive ceramic pressure sensor demonstrated at up to a temperature o... In this paper, a novel antenna is proposed for high-temperature testing, which can make the high-temperature pressure characteristics of a wireless passive ceramic pressure sensor demonstrated at up to a temperature of 600℃. The design parameters of the antenna are similar to those of the sensor, which will increase the coupling strength between the sensor and testing antenna. The antenna is fabricated in thick film integrated technology, and the properties of the alumina ceramic and silver ensure the feasibility of the antenna in high-temperature environments. The sensor, coupled with the ceramic antenna, is investigated using a high-temperature pressure testing platform. The experimental measurement results show that the pressure signal in a harsh environment can be detected by the frequency diversity of the sensor. 展开更多
关键词 ceramic antenna contactless pressure measurement high-temperature application wireless passive pressure sensor
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High-Temperature Overpressure Basin Reservoir and Pressure Prediction Model 被引量:1
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作者 Aiqun Liu Jiaxiong Zhou +3 位作者 Dianyuan Chen Bentian Ou Caiwei Fan Wentuo Li 《Open Journal of Marine Science》 2015年第3期265-272,共8页
Yinggehai Basin locates in the northern South China Sea. Since the Cainozoic Era, crust has several strong tension: the basin subsides quickly, the deposition is thick, and the crust is thin. In the central basin, for... Yinggehai Basin locates in the northern South China Sea. Since the Cainozoic Era, crust has several strong tension: the basin subsides quickly, the deposition is thick, and the crust is thin. In the central basin, formation pressure coefficient is up to 2.1;Yinggehai Basin is a fomous high-temperature overpressure basin.YinggehaiBasin’s in-depth, especially high-temperature overpressure stratum has numerous large-scale exploration goals. As a result of high-temperature overpressure basin’s perplexing geological conditions and geophysical analysis technical limitations, this field of gas exploration can’t be carried out effectively, which affects the process of gas exploration seriously. A pressure prediction model of the high-temperature overpressure basin in different structural positions is summed up by pressure forecast pattern research in recent years, which can be applied to target wells pre-drilling pressure prediction and post drilling pressure analysis of Yinggehai Basin. The model has small erroneous and high rate of accuracy. The Yinggehai Basin A well drilling is successful in 2010, and gas is discovered in high-temperature overpressure stratum, which proved that reservoir can be found in high-temperature overpressure stratum. It is a great theoretical breakthrough of reservoir knowledge. 展开更多
关键词 high-temperature OVERpressure Yinggehai BASIN pressure PREDICTION Model RESERVOIR THEORY
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Two-step high-pressure high-temperature synthesis of nanodiamonds from naphthalene 被引量:1
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作者 Tong Liu Xi-Gui Yang +5 位作者 Zhen Li Yan-Wei Hu Chao-Fan Lv Wen-Bo Zhao Jin-Hao Zang Chong-Xin Shan 《Chinese Physics B》 SCIE EI CAS CSCD 2020年第10期515-520,共6页
Nanodiamonds have outstanding mechanical properties,chemical inertness,and biocompatibility,which give them potential in various applications.Current methods for preparing nanodiamonds often lead to products with impu... Nanodiamonds have outstanding mechanical properties,chemical inertness,and biocompatibility,which give them potential in various applications.Current methods for preparing nanodiamonds often lead to products with impurities and uneven morphologies.We report a two-step high-pressure high-temperature(HPHT) method to synthesize nanodiamonds using naphthalene as the precursor without metal catalysts.The grain size of the diamonds decreases with increasing carbonization time(at constant pressure and temperature of 11.5 GPa and 700℃,respectively).This is discussed in terms of the different crystallinities of the carbon intermediates.The probability of secondary anvil cracking during the HPHT process is also reduced.These results indicate that the two-step method is efficient for synthesizing nanodiamonds,and that it is applicable to other organic precursors. 展开更多
关键词 NANODIAMONDS high pressure high temperature phase transition NAPHTHALENE
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A Study of High-Temperature and High-Pressure Experiment of Correlativity between Deformational System of Au-Bearing Rocks and Element Adjustment 被引量:2
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作者 DONG Faxian LI Zhongjian +1 位作者 CHEN Bailin WANG Jianping 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 1999年第1期40-46,共7页
Modelling of migration and accumulation of elements Au and Ag in rocks under temperatures of 350–450°C and a confining pressure of 300 MPa and axial pressure of 100–150 MPa is conducted. It is found that the co... Modelling of migration and accumulation of elements Au and Ag in rocks under temperatures of 350–450°C and a confining pressure of 300 MPa and axial pressure of 100–150 MPa is conducted. It is found that the contents of gold and silver get higher in metallic sulphides such as pyrite, chalcopyrite and sphalerite as well as in quartz and muscovite, and get lower in chlorite, biotite, seriate, albite and calcite, showing that tectono-dynamics is one of the important factors for petrogenesis and metallogenesis. 展开更多
关键词 Au-bearing rocks element adjustments high-temperature and high-pressure experiment tectono-petrogenesis tectono-metallogenesis
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Utilizing of high-pressure high-temperature synthesis to enhance the thermoelectric properties of Zn_(0.98)Al_(0.02)O with excellent electrical properties
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作者 Qi Chen Xinjian Li +5 位作者 Yao Wang Lijie Chang Jian Wang Yuewen Zhang Hongan Ma Xiaopeng Jia 《Chinese Physics B》 SCIE EI CAS CSCD 2021年第1期391-397,共7页
The temperature in the high-pressure high-temperature(HPHT) synthesis is optimized to enhance the thermoelectric properties of high-density Zn O ceramic, Zn_(0.98)Al_(0.02)O. X-ray diffraction, scanning electron micro... The temperature in the high-pressure high-temperature(HPHT) synthesis is optimized to enhance the thermoelectric properties of high-density Zn O ceramic, Zn_(0.98)Al_(0.02)O. X-ray diffraction, scanning electron microscopy, and transmission electron microscopy show that HPHT can be utilized to control the crystal structure and relative density of the material.High pressure can be utilized to change the energy band structure of the samples via changing the lattice constant of samples, which decreases the thermal conductivity due to the formation of a multi-scale hierarchical structure and defects. The electrical conductivity of the material reaches 6×10^(4) S/m at 373 K, and all doped samples behave as n-type semiconductors. The highest power factor(6.42 μW·cm^(-1)·K^(-2)) and dimensionless figure of merit(z T = 0.09) are obtained when Zn_(0.98)Al_(0.02)O is produced at 973 K using HPHT, which is superior to previously reported power factors for similar materials at the same temperature. Hall measurements indicate a high carrier concentration, which is the reason for the enhanced electrical performance. 展开更多
关键词 high pressure and high temperature icrostructure Al-doped ZnO THERMOELECTRIC
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High-pressure and high-temperature sintering of pure cubic silicon carbide:A study on stress-strain and densification
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作者 刘金鑫 彭放 +5 位作者 马国龙 梁文嘉 何瑞琦 管诗雪 唐越 向晓君 《Chinese Physics B》 SCIE EI CAS CSCD 2023年第9期498-505,共8页
Silicon carbide(SiC)is a high-performance structural ceramic material with excellent comprehensive properties,and is unmatched by metals and other structural materials.In this paper,raw SiC powder with an average grai... Silicon carbide(SiC)is a high-performance structural ceramic material with excellent comprehensive properties,and is unmatched by metals and other structural materials.In this paper,raw SiC powder with an average grain size of 5μm was sintered by an isothermal-compression process at 5.0 GPa and 1500?C;the maximum hardness of the sintered samples was31.3 GPa.Subsequently,scanning electron microscopy was used to observe the microscopic morphology of the recovered SiC samples treated in a temperature and extended pressure range of 0-1500?C and 0-16.0 GPa,respectively.Defects and plastic deformation in the SiC grains were further analyzed by transmission electron microscopy.Further,high-pressure in situ synchrotron radiation x-ray diffraction was used to study the intergranular stress distribution and yield strength under non-hydrostatic compression.This study provides a new viewpoint for the sintering of pure phase micron-sized SiC particles. 展开更多
关键词 high pressure and high temperature silicon carbide stress analysis DEFECT
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Isolated Solid-State Packaging Technology of High-Temperature Pressure Sensor
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作者 张生才 金鹏 +2 位作者 姚素英 赵毅强 曲宏伟 《Transactions of Tianjin University》 EI CAS 2003年第4期264-268,共5页
The principle of miniature isolated solid-state encapsulation technology of high-temperature pressure sensor and the structure of packaging are discussed, including static electricity bonding, stainless steel diaphrag... The principle of miniature isolated solid-state encapsulation technology of high-temperature pressure sensor and the structure of packaging are discussed, including static electricity bonding, stainless steel diaphragm selection and rippled design, laser welding, silicon oil infilling, isolation and other techniques used in sensor packaging, which can affect the performance of the sensor. By adopting stainless steel diaphragm and high-temperature silicon oil as isolation materials, not only the encapsulation of the sensor is as small as 15 mm in diameter and under 1 mA drive, its full range output is 72 mV and zero stability is 0.48% F.S/mon, but also the reliability of the sensor is improved and its application is widely broadened. 展开更多
关键词 high-temperature pressure sensor static electricity bonding isolated solid-state silicon oil infilling
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Mechanical Analysis of a Multi-Test String in High-Temperature and High-Pressure Deep Wells
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作者 Zubing Tang 《Fluid Dynamics & Materials Processing》 EI 2023年第8期2161-2170,共10页
The mechanical behavior of the test string in deep wells is generally relatively complex as a result of the high temperature and high pressure,severe dogleg and buckling effects,which in some circumstances can even le... The mechanical behavior of the test string in deep wells is generally relatively complex as a result of the high temperature and high pressure,severe dogleg and buckling effects,which in some circumstances can even lead to string failure.Traditional computational methods for the analysis of these behaviors are often inaccurate.For this reason,here a more accurate mechanical model of the test string is introduced by considering variables such as temperature,pressure,wellbore trajectory,and buckling,as well as combining them with the deformation and string constraint conditions brought in by changes in temperature and pressure during the tripping,setting,and test operations.The model is validated by applying it to a specific high-pressure gas well(located in Northeast Sichuan). 展开更多
关键词 Test string high temperature and high pressure BUCKLING subdividing operation process mechanical model
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Electrochemical Behavior of Stainless Steel under High-Temperature and High-Pressure Methanol Solution Containing Oxygen and Chloride Ions
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作者 Daisuke Shintani Toshio Ishida +1 位作者 Yoshiaki Matsuo Yosohiro Sugie 《材料科学与工程(中英文B版)》 2011年第7期861-870,共10页
关键词 316L不锈钢 甲醇溶液 电化学行为 氧气 离子对 阳极极化曲线 水分含量 高压
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Emulsifying property,antioxidant activity,and bitterness of soybean protein isolate hydrolysate obtained by Corolase PP under high hydrostatic pressure 被引量:1
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作者 Haining Guan Chunmei Feng +3 位作者 Min Ren Xiaojun Xu Dengyong Liu Xiaoqin Diao 《Food Science and Human Wellness》 SCIE CSCD 2024年第3期1271-1278,共8页
Enzymatic hydrolysis of proteins can enhance their emulsifying properties and antioxidant activities.However,the problem related to the hydrolysis of proteins was the generation of the bitter taste.Recently,high hydro... Enzymatic hydrolysis of proteins can enhance their emulsifying properties and antioxidant activities.However,the problem related to the hydrolysis of proteins was the generation of the bitter taste.Recently,high hydrostatic pressure(HHP)treatment has attracted much interest and has been used in several studies on protein modification.Hence,the study aimed to investigate the effects of enzymatic hydrolysis by Corolase PP under different pressure treatments(0.1,100,200,and 300 MPa for 1-5 h at 50℃)on the emulsifying property,antioxidant activity,and bitterness of soybean protein isolate hydrolysate(SPIH).As observed,the hydrolysate obtained at 200 MPa for 4 h had the highest emulsifying activity index(47.49 m^(2)/g)and emulsifying stability index(92.98%),and it had higher antioxidant activities(44.77%DPPH free radical scavenging activity,31.12%superoxide anion radical scavenging activity,and 61.50%copper ion chelating activity).At the same time,the enhancement of emulsion stability was related to the increase of zeta potential and the decrease of mean particle size.In addition,the hydrolysate obtained at 200 MPa for 4 h had a lower bitterness value and showed better palatability.This study has a broad application prospect in developing food ingredients and healthy foods. 展开更多
关键词 Soybean protein isolate high hydrostatic pressure EMULSIFICATION ANTIOXIDANT Bitter taste
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First-principles study of structural and electronic properties of multiferroic oxide Mn_(3)TeO_(6) under high pressure
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作者 潘小龙 王豪 +2 位作者 柳雷 陈向荣 耿华运 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第7期448-454,共7页
Mn_(3)TeO_(6)(MTO) has been experimentally found to adopt a P2_(1)/In structure under high pressure,which exhibits a significantly smaller band gap compared to the atmospheric R3 phase.In this study,we systematically ... Mn_(3)TeO_(6)(MTO) has been experimentally found to adopt a P2_(1)/In structure under high pressure,which exhibits a significantly smaller band gap compared to the atmospheric R3 phase.In this study,we systematically investigate the magnetism,structural phase transition,and electronic properties of MTO under high pressure through first-principles calculations.Both R3 and P2_(1)/n phases of MTO are antiferromagnetic at zero temperature.The R3 phase transforms to the P2_(1)/n phase at 7.5 8 GPa,accompanied by a considerable volume collapse of about 6.47%.Employing the accurate method that combines DFT+U/and GW,the calculated band gap of R3 phase at zero pressure is very close to the experimental values,while that of the P2_(1)/n phase is significantly overestimated.The main reason for this difference is that the experimental study incorrectly used the Kubelka-Munk plot for the indirect band gap to obtain the band gap of the P2_(1)/n phase instead of the Kubelka-Munk plot for the direct band gap.Furthermore,our study reveals that the transition from the R3 phase to the P2_(1)/n phase is accompanied by a slight reduction in the band gap. 展开更多
关键词 MAGNETISM phase transition band gap high pressure
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Stability and melting behavior of boron phosphide under high pressure
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作者 梁文嘉 向晓君 +2 位作者 李倩 梁浩 彭放 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第4期579-584,共6页
Boron phosphide(BP)has gained significant research attention due to its unique photoelectric and mechanical properties.In this work,we investigated the stability of BP under high pressure using x-ray diffraction and s... Boron phosphide(BP)has gained significant research attention due to its unique photoelectric and mechanical properties.In this work,we investigated the stability of BP under high pressure using x-ray diffraction and scanning electron microscope.The phase diagram of BP was explored in both B-rich and P-rich environments,revealing crucial insight into its behavior at 5.0 GPa.Additionally,we measured the melting curve of BP from 8.0 GPa to 15.0 GPa.Our findings indicate that the stability of BP under high pressure is improved within B-rich and P-rich environments.Furthermore,we report a remarkable observation of melting curve frustration at 10.0 GPa.This study will enhance our understanding of stability of BP under high pressure,shedding light on its potential application in semiconductor,thermal,and light-transmitting devices. 展开更多
关键词 boron phosphide STABILITY melting curve high pressure
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Ultrafast dynamics in photo-excited Mott insulator Sr_(3)Ir_(2)O_7 at high pressure
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作者 尹霞 张建波 +6 位作者 王东 Takeshi Nakagawa 夏春生 张曹顺 郭伟程 昌峻 丁阳 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期149-155,共7页
High-pressure ultrafast dynamics,as a new crossed research direction,are sensitive to subtle non-equilibrium state changes that might be unresolved by equilibrium states measurements,providing crucial information for ... High-pressure ultrafast dynamics,as a new crossed research direction,are sensitive to subtle non-equilibrium state changes that might be unresolved by equilibrium states measurements,providing crucial information for studying delicate phase transitions caused by complex interactions in Mott insulators.With time-resolved transient reflectivity measurements,we identified the new phases in the spin–orbit Mott insulator Sr_(3)Ir_(2)O_7 at 300 K that was previously unidentified using conventional approaches such as x-ray diffraction.Significant pressure-dependent variation of the amplitude and lifetime obtained by fitting the reflectivity?R/R reveal the changes of electronic structure caused by lattice distortions,and reflect the critical phenomena of phase transitions.Our findings demonstrate the importance of ultrafast nonequilibrium dynamics under extreme conditions for understanding the phase transition of Mott insulators. 展开更多
关键词 ultrafast dynamics high pressure phase transition Mott insulator
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High-pressure study on calcium azide(Ca(N_(3))_(2)):Bending of azide ions stabilizes the structure
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作者 武晓鑫 王颖健 +7 位作者 李思琪 吕俊呈 王婧姝 杨丽华 张旗 刘艳清 张俊凯 贾洪声 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第5期542-548,共7页
The high-pressure structure and elastic properties of calcium azide(Ca(N_(3))_(2))were investigated using in-situ highpressure x-ray diffraction and Raman scattering up to 54 GPa and 19 GPa,respectively.The compressib... The high-pressure structure and elastic properties of calcium azide(Ca(N_(3))_(2))were investigated using in-situ highpressure x-ray diffraction and Raman scattering up to 54 GPa and 19 GPa,respectively.The compressibility of Ca(N_(3))_(2)changed as the pressure increased,and no phase transition occurred within the pressure from ambient pressure up to 54 GPa.The measured zero-pressure bulk modulus of Ca(N_(3))_(2)is higher than that of other alkali metal azides,due to differences in the ionic character of their metal-azide bonds.Using CASTEP,all vibration modes of Ca(N_(3))_(2)were accurately identified in the vibrational spectrum at ambient pressure.In the high-pressure vibration study,several external modes(ext.)and internal bending modes(ν_(2))of azide anions(N_(3)^(-))softened up to~7 GPa and then hardened beyond that pressure.This evidence is consistent with the variation observed in the F_(E)–f_(E)data analyzed from the XRD result,where the slope of the curve changes at 7.1 GPa.The main behaviors under pressure are the alternating compression,rotation,and bending of N_(3)^(-)ions.The bending behavior makes the structure of Ca(N_(3))_(2)more stable under pressure. 展开更多
关键词 high pressure calcium azide azide anions
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A novel MgHe compound under high pressure
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作者 Jurong Zhang Lebin Chang +2 位作者 Suchen Ji Lanci Guo Yuhao Fu 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第11期356-360,共5页
Helium,with a full-shell electronic structure,is the most inert element in the periodic table at atmospheric pressure.The study of the reaction between helium and other non-noble-gas elements as well as relevant compo... Helium,with a full-shell electronic structure,is the most inert element in the periodic table at atmospheric pressure.The study of the reaction between helium and other non-noble-gas elements as well as relevant compounds has attracted great attention in the fields of chemistry,physics,materials and planetary science.In this study,we found a stable compound of MgHe with P63/mmc symmetry at pressures above 795 GPa within zero-point energy.Thermodynamic stability calculations of P63/mmc phase at high temperatures and pressures indicate that this structure may exist in the interior of the super-Earth and Neptune.Our further simulations on the electron localization function and Bader analysis show that the predicted compound is an electride with-1.093e in the quantized interstitial quasiatom(ISQ)orbitals,which are localized at interstitial sites in the crystal lattice.Our study provides a theoretical basis for studying the physical and chemical properties of MgHe and the existence of MgHe in gaseous planets. 展开更多
关键词 high pressure first-principles calculations structure prediction
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