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MCMGP_3三维多群P_3近似蒙特卡罗中子输运程序基准检验 被引量:5
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作者 邓力 谢仲生 +1 位作者 张建明 李树 《计算物理》 CSCD 北大核心 2000年第5期525-531,共7页
三维多群P3 近似MonteCarlo中子输运程序MCMGP3是为反应堆临界安全计算设计的 ,它是从连续点截面中子—光子耦合输运MonteCarlo程序MCNP发展而来 ,程序用多群截面代替了MCNP程序的连续点截面 ,但保留了MCNP程序的几何处理能力 ,计数能... 三维多群P3 近似MonteCarlo中子输运程序MCMGP3是为反应堆临界安全计算设计的 ,它是从连续点截面中子—光子耦合输运MonteCarlo程序MCNP发展而来 ,程序用多群截面代替了MCNP程序的连续点截面 ,但保留了MCNP程序的几何处理能力 ,计数能力和降低方差技巧及图形功能。能群数可扩展 ,使用宏观截面或微观截面均可 ,中子角分布采用P3 近似和广义Gaussian求积。多个基准问题结果显示 ,MCMGP3程序结果与其它方法计算结果符合很好 ,计算还表明在同样计算精度下 ,MCMGP3程序的计算时间较MCNP程序少得多。此外 ,MCMGP3程序还实现了与WIMS程序的连算 ,可作反应堆全堆数值模拟。 展开更多
关键词 三维多群 P3近似 基准检验 中子输运程序 CM
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首发精神分裂症患者治疗前后事件相关电位P_3改变 被引量:2
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作者 任燕 郭凤莲 +1 位作者 贾娇 杨红 《中国药物与临床》 CAS 2015年第5期660-662,共3页
精神分裂症患者中,除阳性症状和阴性症状外,认知障碍为其另一核心症状。研究显示约85%的精神分裂症患者存在认知障碍,事件相关电位P300异常可反映其大脑认知功能的改变,国内外研究结果显示精神分裂症患者存在P300靶刺激P3波幅下降、潜... 精神分裂症患者中,除阳性症状和阴性症状外,认知障碍为其另一核心症状。研究显示约85%的精神分裂症患者存在认知障碍,事件相关电位P300异常可反映其大脑认知功能的改变,国内外研究结果显示精神分裂症患者存在P300靶刺激P3波幅下降、潜伏期延长。但对于P3异常是精神分裂症的素质性指标,还是状态性指标,目前的研究结果尚不一致。 展开更多
关键词 事件相关电位 P_3 认知障碍 潜伏期延长 核心症状 素质性 靶刺激 大脑认知功能 状态性 抗精神病药
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Approximation Schemes for the 3-Partitioning Problems
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作者 Jianbo Li Honglin Ding 《Communications and Network》 2013年第1期90-95,共6页
The 3-partitioning problem is to decide whether a given multiset of nonnegative integers can be partitioned into triples that all have the same sum. It is considerably used to prove the strong NP-hardness of many sche... The 3-partitioning problem is to decide whether a given multiset of nonnegative integers can be partitioned into triples that all have the same sum. It is considerably used to prove the strong NP-hardness of many scheduling problems. In this paper, we consider four optimization versions of the 3-partitioning problem, and then present four polynomial time approximation schemes for these problems. 展开更多
关键词 3-partitioning PROBLEM approximation SCHEME
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A COMPUTER CODE FASTOR-3D FOR TRANSIENT THREE-DIMENSIONAL SIMULATION ON FLOW AND HEAT TRANS-FER WITH POROSITY APPROXIMATION
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作者 卢万成 邓保庆 席时桐 《Journal of Shanghai Jiaotong university(Science)》 EI 1997年第2期43-46,52,共5页
Upon the conservation of mass, momentum and energy, volume fraction and surface penetrative rate were employed to modify the conservative equations to simulate the effect of blockages on fluid flows and heat transfer.... Upon the conservation of mass, momentum and energy, volume fraction and surface penetrative rate were employed to modify the conservative equations to simulate the effect of blockages on fluid flows and heat transfer. These equations were solved numerically with the finite differential method and the primitive variable approach. This method uses staggered grid and pressure correction schemes. A computer code FASTOR3D integrated the aforementioned algorithm. The preliminary results have been compared with conventional benchmark solutions. With auxiliary software DV, the numerical results were visualized in colorful images to demonstrate the variation of flow patterns and temperature profiles during the transient process. The results of the simulation code for the fluid flows and heat transfer in the sodium pool of a fast breeder reactor are acceptable. 展开更多
关键词 THREE-DIMENSIONAL SIMULATION FLOW and HEAT transfer POROSITY approximation FASTOR3D
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High—Temperature Cutoff Approximation of the 3D kinetic Ising Model
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作者 ZHUJian-Yang YANGZhan-Ru 《Communications in Theoretical Physics》 SCIE CAS CSCD 2001年第4期469-474,共6页
A single-spin transition critical dynamics is used to investigate the three-dimensional kinetic Ising model on an anisotropic cubic lattice. We first derive the fundamental dynamical equations, and then linearize them... A single-spin transition critical dynamics is used to investigate the three-dimensional kinetic Ising model on an anisotropic cubic lattice. We first derive the fundamental dynamical equations, and then linearize them by a cutoff approximation. We obtain the approximate solutions of the local magnetization and equal-time pair correlation function in zero field. In which the axial-decoupling terms , and as higher infinitesimal quantity are ignored, where . We think that it is reasonable as the temperature of the system is very high. The result of what we obtain in this paper can go back to the one-dimensional Glauber's theory as long as . 展开更多
关键词 critical dynamics 3D kinetic Ising model high-temperature cutoff approximation
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Sparse Approximations of the Schur Complement for Parallel Algebraic Hybrid Solvers in 3D
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作者 L.Giraud A.Haidar Y.Saad 《Numerical Mathematics(Theory,Methods and Applications)》 SCIE 2010年第3期276-294,共19页
In this paper we study the computational performance of variants of an algebraic additive Schwarz preconditioner for the Schur complement for the solution of large sparse linear systems.In earlier works,the local Schu... In this paper we study the computational performance of variants of an algebraic additive Schwarz preconditioner for the Schur complement for the solution of large sparse linear systems.In earlier works,the local Schur complements were computed exactly using a sparse direct solver.The robustness of the preconditioner comes at the price of this memory and time intensive computation that is the main bottleneck of the approach for tackling huge problems.In this work we investigate the use of sparse approximation of the dense local Schur complements.These approximations are computed using a partial incomplete LU factorization.Such a numerical calculation is the core of the multi-level incomplete factorization such as the one implemented in pARMS. The numerical and computing performance of the new numerical scheme is illustrated on a set of large 3D convection-diffusion problems;preliminary experiments on linear systems arising from structural mechanics are also reported. 展开更多
关键词 Hybrid direct/iterative solver domain decomposition incomplete/partial factorization Schur approximation scalable preconditioner CONVECTION-DIFFUSION large 3D problems parallelscientific computing High Performance Computing.
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Mn^(2+)掺杂聚阴离子型钠离子电池正极材料的制备及电化学性能
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作者 闫共芹 谢相飞 +3 位作者 蓝春波 赵卓凡 王晨 武桐 《精细化工》 北大核心 2025年第9期1951-1959,共9页
以FeSO_(4)·7H_(2)O、MnSO_(4)·H_(2)O、NH_(4)H_(2)PO_(4)、CH_(3)COONa、一水合柠檬酸和氧化石墨烯(GO)为原料,采用溶胶-凝胶法制备了Mn^(2+)掺杂、还原氧化石墨烯(rGO)包覆的聚阴离子型钠离子电池正极材料Na_(4)Fe_(3–x)M... 以FeSO_(4)·7H_(2)O、MnSO_(4)·H_(2)O、NH_(4)H_(2)PO_(4)、CH_(3)COONa、一水合柠檬酸和氧化石墨烯(GO)为原料,采用溶胶-凝胶法制备了Mn^(2+)掺杂、还原氧化石墨烯(rGO)包覆的聚阴离子型钠离子电池正极材料Na_(4)Fe_(3–x)Mn_(x)(PO_(4))_(2)(P_(2)O_(7))/rGO(Mn_(x)-NFPP/rGO,x为Mn掺杂量,即Mn取代Fe的物质的量)。采用SEM、XRD、EDS、XPS对Mn_(x)-NFPP/rGO的微观形貌和结构成分进行了表征。通过恒流充放电、循环伏安和电化学阻抗测试,考察了Mn^(2+)掺杂量对Mn_(x)-NFPP/rGO电化学性能的影响,采用密度泛函理论计算了Mn_(x)-NFPP/rGO的能带和态密度。结果表明,Mn^(2+)掺杂扩大了Na^(+)扩散通道,提高了Na^(+)扩散速率,但对材料的三维结构和形貌没有影响;Mn_(0.30)-NFPP/rGO表现出最优的循环稳定性和倍率性能,在0.05 C倍率下具有131.2 mA·h/g的初始放电比容量,在2 C倍率下的放电比容量为91.9 mA·h/g;Mn^(2+)掺杂和rGO包覆有效提高了材料的放电比容量和循环稳定性,在1 C倍率下循环100圈后的比容量保持率为94%。Mn^(2+)的掺杂降低了材料价带与导带之间的带隙(3.128 eV),使价带中的电子更容易跃迁到导带,从而有利于提高Na^(+)的扩散动力学和本征电导率。 展开更多
关键词 Mn^(2+)掺杂 Na_(4)Fe_(3)(PO_(4))_(2)P_(2)O_(7)/rGO 钠离子电池 正极材料 电化学性能 储能机理 功能材料
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碱度和P_(2)O_(5)含量对CaO-SiO_(2)-Al_(2)O_(3)-La_(2)O_(3)-CeO_(2)渣系结晶行为影响研究
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作者 曹祚君 辛文彬 +3 位作者 邓永春 姜银举 张婧 赵付恒 《稀有金属与硬质合金》 北大核心 2025年第4期15-22,29,共9页
为了更好地选择性富集含稀土渣中的稀土,对CaO-SiO_(2)-Al_(2)O_(3)-La_(2)O_(3)-CeO_(2)渣系进行熔化-冷却实验,通过XRD、SEM-EDS、EPMA等手段研究了碱度(CaO/SiO_(2)质量比)和P_(2)O_(5)含量(质量分数)对该渣系结晶行为的影响规律。... 为了更好地选择性富集含稀土渣中的稀土,对CaO-SiO_(2)-Al_(2)O_(3)-La_(2)O_(3)-CeO_(2)渣系进行熔化-冷却实验,通过XRD、SEM-EDS、EPMA等手段研究了碱度(CaO/SiO_(2)质量比)和P_(2)O_(5)含量(质量分数)对该渣系结晶行为的影响规律。结果表明,当P_(2)O_(5)含量不变时,随着碱度由0.86增加至1.20,渣系中的析出相由单一的富稀土相转变为富稀土相和钙铝黄长石相(Ca_(2)Al_(2)SiO_(7))两种物相共存;但碱度为1.20时,10%P_(2)O_(5)对Ca_(2)Al_(2)SiO_(7)相的析出具有抑制作用。另外,随着碱度的增加,富稀土相的面积分数和晶粒尺寸也随之增大,且其稀土含量变化不大。当碱度不变时,随着P_(2)O_(5)质量分数由0增加至10%,富稀土相的面积分数和平均晶体尺寸增大,但其稀土含量相对降低。综合考虑结晶相纯度和稀土富集程度,在较低碱度(R≤1.00)下加入5%~10%P_(2)O_(5)对CaO-SiO_(2)-Al_(2)O_(3)-La_(2)O_(3)-CeO_(2)渣系中的稀土富集和后续分离提取更为有利。 展开更多
关键词 CaO-SiO_(2)-Al_(2)O_(3)-La_(2)O_(3)-CeO_(2)渣系 碱度 P_(2)O_(5) 结晶行为 富稀土相 稀土富集
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P_(2)O_(5)/CF_(3)SO_(3)H促进合成4,4′-二氟二苯甲酮
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作者 付效禹 徐泽锋 朱锦桃 《应用化工》 北大核心 2025年第3期639-642,650,共5页
以对氨基苯甲酸为原料,在P_(2)O_(5)-CF_(3)SO_(3)H的促进下与氟苯发生Fridel-Crafts酰基化反应,得到4-氨基-4′-氟二苯甲酮;后者在无水氟化氢中与NaNO_(2)发生桑德迈尔反应得到4,4′-二氟二苯甲酮。对该路线各反应条件进行筛选优化,并... 以对氨基苯甲酸为原料,在P_(2)O_(5)-CF_(3)SO_(3)H的促进下与氟苯发生Fridel-Crafts酰基化反应,得到4-氨基-4′-氟二苯甲酮;后者在无水氟化氢中与NaNO_(2)发生桑德迈尔反应得到4,4′-二氟二苯甲酮。对该路线各反应条件进行筛选优化,并通过IR、1H NMR、LC-MS测试手段对各产物的结构进行表征。研究结果表明,发生酰基化反应的较优条件为:当物料比为n(对氨基苯甲酸)∶n(氟苯)∶n(CF_(3)SO_(3)H)∶n(P_(2)O_(5))=1∶1.1∶10∶1.25、反应温度20~25℃时,选择性(对位产物/邻位产物)达到98/2,收率92.2%;发生桑德迈尔反应的较优条件为:当物料比为n(4-氨基-4′-氟二苯甲酮)∶n(HF)∶n(NaNO_(2))=1∶7.5∶1.1,选用无水HF作为氟化试剂、加入固体亚硝酸钠发生桑德迈尔反应时,收率86.7%,HPLC纯度99.9%。 展开更多
关键词 对氨基苯甲酸 P_(2)O_(5)/CF_(3)SO_(3)H促进 4 4′-二氟二苯甲酮 合成
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Mo-Mn双掺杂与碳纳米管复合协同提升Na_(4)Fe_(3)(PO_(4))_(2)P_(2)O_(7)/C材料性能研究
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作者 陈彤彤 韩现英 +1 位作者 杰梦玲 李建刚 《无机盐工业》 北大核心 2025年第5期79-86,共8页
为提升钠离子电池正极材料Na_(4)Fe_(3)(PO_(4))_(2)P_(2)O_(7)/C(NFPP)的导电性及高倍率充放电性能,采用喷雾干燥法制备了Mo-Mn双掺杂及复合碳纳米管(CNTs)改性的NFPP材料。通过X射线衍射仪(XRD)、扫描电子显微镜(SEM)、透射电子显微镜... 为提升钠离子电池正极材料Na_(4)Fe_(3)(PO_(4))_(2)P_(2)O_(7)/C(NFPP)的导电性及高倍率充放电性能,采用喷雾干燥法制备了Mo-Mn双掺杂及复合碳纳米管(CNTs)改性的NFPP材料。通过X射线衍射仪(XRD)、扫描电子显微镜(SEM)、透射电子显微镜(TEM)、恒电流间歇滴定技术(GITT)及其他物理和电化学测试技术,系统分析了改性NFPP材料的结构与性能。研究结果表明,与单一Mo^(6+)掺杂样品相比,Mo^(6+)、Mn^(2+)协同双掺杂能够进一步降低电荷传递阻抗,提高钠离子扩散系数,从而显著提升材料的电化学性能。所制备的Na_(4)Fe_(2.87)Mo_(0.1)Mn_(0.03)(PO_(4))_(2)P_(2)O_(7)/C材料在0.1C、5.0C和10.0C倍率下的可逆容量分别达到122.6、100.3、95.6 mA·h/g。进一步复合质量分数为5%的碳纳米管后,材料的电荷传递阻抗降低至313Ω,钠离子扩散系数提高至4.23×10^(-10)cm^(2)/s,从而显著改善了材料的倍率性能和循环性能。改性后的材料在0.1C、5.0C和10.0C倍率下的可逆容量分别提升至123.0、109.5、104.4 mA·h/g,且在10.0C倍率下循环350次后容量保持率高达92.52%。该研究表明,Mo-Mn双掺杂结合碳纳米管复合改性是提升NFPP材料电化学性能的有效策略,为高性能钠离子电池正极材料的开发提供了重要的理论和实验依据。 展开更多
关键词 钠离子电池 Na_(4)Fe_(3)(PO_(4))_(2)P_(2)O_(7)/C Mo-Mn双掺杂 碳纳米管
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喷雾干燥法制备储钠材料Na_(3)Fe_(2)(PO_(4))P_(2)O_(7)/C
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作者 王洪波 饶韫诚 +2 位作者 李荣森 陶凯 闻雷 《轻金属》 2025年第2期50-54,共5页
钠离子电池在未来储能领域和低速车市场具有巨大潜在应用,且正极材料的选择对于钠离子电池的应用非常关键。本文以混合聚阴离子Na_(3)Fe_(2)(PO_(4))P_(2)O_(7)(NFPP)作为研究对象,通过湿法球磨和喷雾干燥并结合高温烧结制备NFPP/C复合... 钠离子电池在未来储能领域和低速车市场具有巨大潜在应用,且正极材料的选择对于钠离子电池的应用非常关键。本文以混合聚阴离子Na_(3)Fe_(2)(PO_(4))P_(2)O_(7)(NFPP)作为研究对象,通过湿法球磨和喷雾干燥并结合高温烧结制备NFPP/C复合正极材料。借助X射线衍射(XRD)、扫描电子显微镜(SEM)、透射电子显微镜(TEM)以及恒流充放电等表征测试手段,分析NFPP/C材料的结构、形貌和用作储钠正极时表现出的电化学性能。结果表明,NFPP/C材料呈现球形微纳结构特征,作为钠离子电池正极展现出较高的容量存储、稳定的循环性能和较好的低温性能:在0.2 C,NFPP/C首次充放电比容量分别为100.7和99.5 mAh/g;在0.2和0.5 C连续循环200次后的容量保持率分别为90.9%和87.6%;在0.3 C,-10℃、-20℃和-30℃的放电比容量分别为75.3、57.5和31.1 mAh/g。 展开更多
关键词 Na_(3)Fe_(2)(PO_(4))P_(2)O_(7) 碳包覆 喷雾干燥 正极材料 钠离子电池
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Na_(4)Fe_(3)(PO_(4))_(2)P_(2)O_(7)@C的合成与储钠性能
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作者 王洪波 豆子航 +2 位作者 武晗 楚庄 王艳 《电池》 北大核心 2025年第3期508-512,共5页
钠离子电池是大型储能系统的理想电源,可通过纳米化和碳包覆提升铁基聚阴离子正极材料的性能。采用湿法球磨和喷雾干燥并结合高温烧结制备Na_(4)Fe_(3)(PO_(4))_(2)P_(2)O_(7)(NFPP)@C复合材料。通过XRD、SEM、透射电子显微镜(TEM)、CV... 钠离子电池是大型储能系统的理想电源,可通过纳米化和碳包覆提升铁基聚阴离子正极材料的性能。采用湿法球磨和喷雾干燥并结合高温烧结制备Na_(4)Fe_(3)(PO_(4))_(2)P_(2)O_(7)(NFPP)@C复合材料。通过XRD、SEM、透射电子显微镜(TEM)、CV及恒流充放电等测试,分析NFPP@C正极材料的结构、形貌和电化学性能。NFPP@C材料呈现球状颗粒且表现为微纳米结构特征,当电压为1.5~4.2 V时,材料具有较高的比容量、良好的倍率性和稳定的循环性。室温25℃下,材料在0.3 C时的首次充放电比容量分别为104.6 mAh/g和100.7 mAh/g,以5.0 C循环500次的容量保持率为95.2%;材料在-25℃和-35℃时,放电比容量分别为81.1 mAh/g和72.3 mAh/g,低温性能较好。 展开更多
关键词 Na_(4)Fe_(3)(PO_(4))_(2)P_(2)O_(7)(NFPP) 碳包覆 喷雾干燥 正极材料 钠离子电池
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Novel sodium-ion battery anode design of Sn_(4)P_(3) nanoparticles loaded on biomass-derived carbon
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作者 WEI Yu-qian HE Zhen +2 位作者 SONG Yun-fei LIU Jia-ming HAYAT Muhammad D. 《Journal of Central South University》 2025年第5期1724-1735,共12页
Tin phosphide(Sn_(x)P_(y))is an anode for sodium-ion batteries resulting from its exceptionally high theoretical capacity in future.Nevertheless,its application will be hindered by significant volume expansion during ... Tin phosphide(Sn_(x)P_(y))is an anode for sodium-ion batteries resulting from its exceptionally high theoretical capacity in future.Nevertheless,its application will be hindered by significant volume expansion during charge discharge cycles and poor electrical conductivity.This study employs a Sn-based metal-organic framework(Sn-MOF)as a precursor for synthesizing tin phosphide nanoparticles.Then Solidago Canadensis L.,commonly known as Canadian Goldenrod,is utilized as a biomass carbon carrier to form a composite with tin phosphide nanoparticles.The biomass derived porous carbon provides additional sodium ion storage sites and serves as a structural scaffold that constrains the volumetric expansion of tin phosphide,thereby enhancing the material’s stability.The fabricated composite exhibits superior electrode electrochemical performance for sodium-ion batteries.It retains a high capacity(489.5 mA·h/g)after 100 cycles at 0.2 A/g.Even after 500 cycles at a high current density of 2 A/g,it still maintains a stable reversible capacity.This study offers a comprehensive exploration of innovative design strategies essential for the development of novel anode materials,paving the way for more sustainable and efficient sodium-ion-based energy storage systems. 展开更多
关键词 Sn_(4)P_(3) sodium-ion battery biomass-derived carbon cycling performance
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X-ray induced long afterglow luminescence from UVC to red region in Ca_(2)P_(2)O_(7):Pr^(3+)
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作者 Tongyan Lin Xiaoyan Fu +5 位作者 Zewen Liu Naihui Chen Jiaxu Zhang Runyao Liu Wei Meng Hongwu Zhang 《Journal of Rare Earths》 2025年第8期1601-1606,I0001,共7页
In this paper,we developed low dose X-ray induced long afterglow phosphor Ca_(2)P_(2)O_(7):Pr^(3+),which shows excellent afterglow luminescence from ultraviolet C(UVC)to red region.The photoluminescent results show th... In this paper,we developed low dose X-ray induced long afterglow phosphor Ca_(2)P_(2)O_(7):Pr^(3+),which shows excellent afterglow luminescence from ultraviolet C(UVC)to red region.The photoluminescent results show that under 445.7 nm excitation,Ca_(1.995)P_(2)O_(7):0.5%Pr3+displays red emissions peaked at 598.3 and651.9 nm,corresponding to1D2-3H4and3P0-3F2transitions of Pr^(3+),respectively.Due to its pure red emission(CIE coordinates(0.59101,0.39926)),Ca_(1.995)P_(2)O_(7):0.5%Pr^(3+)can be regarded as a potential LED red phosphor.More importantly,Ca_(2)P_(2)O_(7):Pr^(3+)shows long afterglow luminescence from UVC to red region,which consists of four co ntinuous emissions with similar intensity including 260,359,466 and 598.3 nm.Since these afterglow continuous emissions are fitted to the absorption of most photodynamic therapy(PDT)agents,Ca_(2)P_(2)O_(7):Pr^(3+)can be regarded as excellent PDT agents.Furthermo re,30 s X-ray irradiation can induce 5400 s decay of Ca_(1.997)P_(2)O_(7):0.3%Pr^(3+),and its afterglow emission intensity still reaches 5×10^(4)cps after 5400 s decay.Even only 5 s X-ray irradiation also can produce 4.75×10^(4)cps afterglow emis sion after10 s decay.In addition,the repeat 980 nm laser irradiations can induce co ntinuous strong photo-stimulated(PSL)luminescent peaks,which can be utilized to conduct high efficiency PDT without another X-ray irradiation.The thermoluminesce nce results reveal that the existence of shallow(0.89 eV)and deep traps are responsible for the excellent X-ray induced long afterglow and PSL luminescence.All these results suggest that Ca_(2)P2O7:Pr^(3+)possesses great potential to be regarded as high efficiency PDT agents. 展开更多
关键词 Pr^(3+) Ca_(2)P_(2)O_(7) AFTERGLOW THERMOLUMINESCENCE Rare earths
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基于SU(3)李代数在无旋转波近似下三能级系统的非绝热布居数转移
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作者 豆雨欣 李伟 《物理学报》 北大核心 2025年第13期162-168,共7页
外场驱动的三能级量子系统能够利用受激拉曼非绝热通道实现量子态相干布居数转移.本文在无旋转波近似下,利用SU(3)李代数方法逆向设计了可严格求解的三能级系统,研究了系统的动力学行为.结果表明,通过设定控制参数相应的边界条件,无论... 外场驱动的三能级量子系统能够利用受激拉曼非绝热通道实现量子态相干布居数转移.本文在无旋转波近似下,利用SU(3)李代数方法逆向设计了可严格求解的三能级系统,研究了系统的动力学行为.结果表明,通过设定控制参数相应的边界条件,无论是在理想演化下,还是在考虑脉冲截断和中间态衰变的实际演化中,都可以实现高保真度的布居数转移.与现有的其他非绝热量子调控方案相比,本方案在非绝热动力学过程中不会产生Rabi振荡和脉冲的奇异性. 展开更多
关键词 三能级系统 SU(3)李代数 无旋转波近似 非绝热布居数转移
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A scalable approach to Na_(4)Fe_(3)(PO_(4))_(2)P_(2)O_(7)@carbon/expanded graphite as cathode for ultralong-lifespan and low-temperature sodium-ion batteries
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作者 Zheng Li Fangkun Li +9 位作者 Xijun Xu Jun Zeng Hangyu Zhang Lei Xi Yiwen Wu Linwei Zhao Jiahe Chen Jun Liu Yanping Huo Shaomin Ji 《Chinese Chemical Letters》 2025年第10期616-622,共7页
Mixed polyanion phosphate Na_(4)Fe_(3)(PO_(4))_(2)P_(2)O_(7)(NFPP)is regarded as the most promising cathode material for sodium-ion batteries(SIBs),due to its high structural stability and low-cost environmental frien... Mixed polyanion phosphate Na_(4)Fe_(3)(PO_(4))_(2)P_(2)O_(7)(NFPP)is regarded as the most promising cathode material for sodium-ion batteries(SIBs),due to its high structural stability and low-cost environmental friendliness.However,its intrinsic low conductivity and sluggish Na^(+)diffusion restricted the fast-charge and low-temperature sodium storage.Herein,an NFPP composite encapsulated by in-situ pyrolytic carbon and coupled with expanded graphite(NFPP@C/EG)was constructed via a sol-gel method followed by a ballmill procedure.Due to the dual-carbon modified strategy,this NFPP@C/EG only enhanced the electronic conductivity,but also endowed more channels for Na^(+)diffusion.As cathode for SIBs,the optimized NFPP(M-NFPP@C/EG)delivers excellent rate capability(capacity of~80.5 mAh/g at 50 C)and outstanding cycling stability(11000 cycles at 50 C with capacity retention of 89.85%).Additionally,cyclic voltammetry(CV)confirmed that its sodium storage behavior is pseudocapacitance-controlled,with in-situ electrochemical impedance spectroscopy(EIS)further elucidating improvements in electrode reaction kinetics.At lower temperatures(0℃),M-NFPP@C/EG demonstrated exceptional cycling performance(8800 cycles at 10 C with capacity retention of 95.81%).Moreover,pouch cells also exhibited excellent stability.This research demonstrates the feasibility of a dual carbon modification strategy in enhancing NFPP and proposes a low-cost,high-rate,and ultra-stable cathode material for SIBs. 展开更多
关键词 Na_(4)Fe_(3)(PO_(4))_(2)P_(2)O_(7) Expanded graphite Dual-carbon modified Polyanionic compounds cathode Sodium-ion batteries
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Pillar doping of Na4 site in Na_(4)Fe_(3)(PO_(4))_(2)P_(2)O_(7) alleviating structural evolution at high voltages for sodium storage
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作者 Dongzhu Liu Zihao Yang +14 位作者 Yanyan Cao Zhaowen Chen Guangjin Wang Jiangtao Wang Xiangyang Xie Yongtao Ma Wei Huang Yukun Xi Ningjing Hou Xiaoxue Wang Zheng Wang Jinze Zhang Wenbin Li Jingjing Wang Xifei Li 《Journal of Energy Chemistry》 2025年第10期931-940,共10页
In this work,for the first time,it is demonstrated that during the insertion/extraction of Na ions,the structural evolution at the Na_(4)site at a voltage range of 3-4 V is a key factor for the capacity decay of Na_(4... In this work,for the first time,it is demonstrated that during the insertion/extraction of Na ions,the structural evolution at the Na_(4)site at a voltage range of 3-4 V is a key factor for the capacity decay of Na_(4)Fe_(3)(PO_(4))_(2)P_(2)O_(7)(NFPP).Herein,a strategy of introducing columnar potassium ions at the Na_(4)site is proposed to address the aforementioned challenge.As a cathode material for sodium-ion batteries,the K_(0.12)Na_(3.88)Fe_(3)(PO_(4))_(2)P_(2)O_(7)/C(K-NFPP)composite enhances the reversibility of Na_(4)extraction.Specifically,the K-NFPP exhibits an initial discharge capacity of 107.8 mAh g^(-1)at a high current density of 5 C,with a capacity retention of 91.4% after 2000 cycles,outperforming the pristine NFPP material(81.1 m Ah g^(-1)and 67.1%).At 5 C,the K-NFPP also retains 81.5% of the reversible capacity at 0.1 C,whereas the NFPP only retains 68.3%.Moreover,the K-NFPP-based full-cell delivers an initial capacity of 110.1 m Ah g^(-1)at 1 C,with a capacity retention of 90% after 100 cycles.It is found that in comparison to K-doping of the Na1,Na2,and Na3 sites,K-doping at the Na4 site effectively optimizes the band gap and stabilizes the crystal structure,thereby reducing lattice changes of FeO_(6)evolution during Na^(+)insertion/extraction.As a result,the introduction of columnar potassium ions significantly enhances the capacity contribution of the Na_(4)site,optimizes reaction kinetics,and effectively mitigates the capacity decay of NFPP cathodes.It is believed that this study offers a new entry point for the application of NFPP in high-voltage sodium storage. 展开更多
关键词 Cathodes Iron-based phosphate Na_(4)Fe_(3)(PO_(4))_(2)P_(2)O_(7) Capacity decay Pillar ion effect
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三维TTI介质波动方程分解 被引量:14
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作者 梁锴 吴国忱 +1 位作者 印兴耀 白晓寅 《石油地球物理勘探》 EI CSCD 北大核心 2009年第1期19-27,共9页
波动方程分解是指从弹性波方程中分解出描述各种波场独立传播的波动方程。在各向异性介质中,由于纵波、横波是耦合在一起传播的,所以通常不具备解耦性质。本文从Thomsen弱各向异性近似和声学假设近似两个途径对三维TTI介质弹性波波动方... 波动方程分解是指从弹性波方程中分解出描述各种波场独立传播的波动方程。在各向异性介质中,由于纵波、横波是耦合在一起传播的,所以通常不具备解耦性质。本文从Thomsen弱各向异性近似和声学假设近似两个途径对三维TTI介质弹性波波动方程进行了分解。利用本征值方法求解三维TTI介质弹性波的Christoffel方程,得到描述SH波、qP波和qSV波的精确频散关系方程,通过Thomsen弱各向异性表征理论,推导出了弱各向异性条件下描述qP波和qSV波传播的时空域波动方程;由TTI介质qP波和qSV波耦合的频散关系方程出发,根据声学假设原理,推导出三维TTI介质描述qP波传播的波动方程。数值试算表明,通过波动方程分解获得的三维TTI介质qP波和qSV波波动方程具有较高的精度,为研究三维TTI介质qP波和qSV正演模拟和深度偏移算法奠定了理论基础。 展开更多
关键词 三维TTI介质 波动方程分解 弱各向异性 THOMSEN参数 近似
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酸度对P_(204)—HCl—H_3AOH体系萃取La(Ⅲ)的机理影响 被引量:5
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作者 李剑虹 常宏涛 吴文远 《辽宁石油化工大学学报》 CAS 2010年第1期15-18,共4页
在pH>1、0<pH≤1、pH<0三种条件下,对P_(204)-煤油体系以及P_(204)-HCl-H_3AOH体系负载La有机相进行红外光谱测试,研究了酸度对P_(204)-HCl-H_3AOH体系萃取La(Ⅲ)的机理影响。研究结果表明,当pH>1时,萃取过程的实质是La离子... 在pH>1、0<pH≤1、pH<0三种条件下,对P_(204)-煤油体系以及P_(204)-HCl-H_3AOH体系负载La有机相进行红外光谱测试,研究了酸度对P_(204)-HCl-H_3AOH体系萃取La(Ⅲ)的机理影响。研究结果表明,当pH>1时,萃取过程的实质是La离子与P-OH置换,遵循阳离子交换机制;0<pH≤1时,萃取过程是由P=O基团与P-OH基团同时参与与La的配合作用,其配合机制为阳离子交换机制和溶剂化配合双重机制,该机制增强了对La的萃取能力使萃取容量提高;pH≤0时,萃取过程是由P=O基团与P-OH基团同时参加的配合反应,但是P=O基团占主要优势。 展开更多
关键词 P_(204)-HCl-H_3AOH 酸度 分配比 LA 红外光谱 萃取机理
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