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期刊论文 17

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乙醇蒸汽重整 1

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氟化石墨 1

第一性原理 1

聚变能源；磁约束聚变；中国聚变工程实验堆；Z箍缩聚变裂变混合堆；商业化供能 1

锂/钠可充电电池 1

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Engineering the electronic and geometric structure of VO/BN@TiO heterostructure for efficient aerobic oxidative desulfurization

《化学科学与工程前沿（英文）》 2023年 第17卷 第3期   页码 276-287 doi: 10.1007/s11705-022-2242-3

摘要： Particle size governs the electronic and geometric structure of metal nanoparticles (NPs), shaping their catalytic performances in heterogeneous catalysis. However, precisely controlling the size of active metal NPs and thereafter their catalytic activities remain an affordable challenge in ultra-deep oxidative desulfurization (ODS) field. Herein, a series of highly-efficient VOx/boron nitride nanosheets (BNNS)@TiO2 heterostructures, therein, cetyltrimethylammonium bromide cationic surfactants serving as intercalation agent, BNNS and MXene as precursors, with various VOx NP sizes were designed and controllably constructed by a facile intercalation confinement strategy. The properties and structures of the prepared catalysts were systematically characterized by different technical methods, and their catalytic activities were investigated for aerobic ODS of dibenzothiophene (DBT). The results show that the size of VOx NPs and V5+/V4+ play decisive roles in the catalytic aerobic ODS of VOx/BNNS@TiO2 catalysts and that VOx/BNNS@TiO2-2 exhibits the highest ODS activity with 93.7% DBT conversion within 60 min under the reaction temperature of 130 °C and oxygen flow rate of 200 mL·min–1, which is due to its optimal VOx dispersion, excellent reducibility and abundant active species. Therefore, the finding here may contribute to the fundamental understanding of structure-activity in ultra-deep ODS and inspire the advancement of highly-efficient catalyst.

关键词： oxidative desulfurization     boron nitride     vanadium     MXene     intercalation confinement    

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Magnetic confinement fusion: a brief review

Chuanjun HUANG, Laifeng LI

《能源前沿（英文）》 2018年 第12卷 第2期   页码 305-313 doi: 10.1007/s11708-018-0539-1

摘要： Fusion energy is considered to be the ultimate energy source, which does not contribute to climate change compared with conventional fossil fuel. It is massive compared with unconventional renewable energy and demonstrates fewer safety features compared with unconventional fission energy. During the past several decades, never-ceasing efforts have been made to peacefully utilize the fusion energy in various approaches, especially inertial confinement and magnetic confinement. In this paper, the main developments of magnetic confinement fusion with emphasis on confinement systems as well as challenges of materials related to superconducting magnet and plasma-facing components are reviewed. The scientific feasibility of magnetic confinement fusion has been demonstrated in JET, TFTR, JT-60, and EAST, which instigates the construction of the International Thermonuclear Experimental Reactor (ITER). A fusion roadmap to DEMO and commercial fusion power plant has been established and steady progresses have been made to achieve the ultimate energy source.

关键词： fusion energy     magnetic confinement     tokamak     structural material     superconducting magnet    

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Confinement properties of circular concrete columns wrapped with prefabricated textile-reinforced fine

《结构与土木工程前沿（英文）》 2023年 第17卷 第10期   页码 1554-1570 doi: 10.1007/s11709-023-0955-0

摘要： This paper proposes an innovative column composed of a core column (including both reinforced concrete (RC) and plain concrete (PC) columns) and a prefabricated textile-reinforced fine concrete (TRC) shell. To study the confinement properties of TRC shells on this novel type of concrete column, 20 circular specimens, including 12 PC columns and 8 RC columns, were prepared for axial compressive tests. Four key parameters, including the column size, reinforcing ratio of the carbon textile, concrete strength, and stirrup spacing, were evaluated. The results indicated that the compressive properties of the columns were improved by increasing the reinforcing ratio of the textile layers. In the case of TRC-confined PC columns, the maximum improvement in the peak load was 56.3%, and for TRC-confined RC columns, the maximum improvement was 60.2%. Based on the test results, an analytical model that can be used to calculate the stress–strain curves of prefabricated TRC shell-confined concrete columns has been proposed. The calculated curves predicted by the proposed model agreed well with the test results.

关键词： textile-reinforced fine concrete     prefabricated shell     confined concrete column     confinement properties     stress–strain relationship    

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Vanadium oxide cathode with synergistic engineering of calcium-ion intercalation and polyaniline coating

《化学科学与工程前沿（英文）》 2023年 第17卷 第9期   页码 1244-1253 doi: 10.1007/s11705-022-2293-5

摘要： Vanadium oxides as cathode for zinc-ion batteries have attracted much attention because of their high theoretical capacity, flexible layered structure and abundant resources. However, cathodes are susceptible to the collapse of their layered structure and the dissolution of vanadium after repeated long cycles, which worsen their capacities and cycling stabilities. Herein, a synergistic engineering of calcium-ion intercalation and polyaniline coating was developed to achieve the superior electrochemical performance of vanadium pentoxide for zinc-ion batteries. The pre-intercalation of calcium-ion between vanadium pentoxide layers as pillars increase the crystal structure’s stability, while the polyaniline coating on the cathodes improves the conductivity and inhibits the dissolution of vanadium. This synergistic engineering enables that the battery system based-on the polyaniline coated calcium vanadate cathode to deliver a high capacity of 406.4 mAh·g−1 at 1 A·g−1, an ultralong cycle life over 6000 cycles at 10 A·g−1 with 93% capacity retention and high-rate capability. The vanadium oxide cathode with synergistic engineering of calcium-ion intercalation and polyaniline coating was verified to effectively improve the electrochemical performance of zinc-ion batteries.

关键词： zinc-ion battery     CaV8O20     polyaniline coating     synergistic engineering     high capacity     long durability    

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Confinement effects in methanol to olefins catalysed by zeolites: A computational review

German Sastre

《化学科学与工程前沿（英文）》 2016年 第10卷 第1期   页码 76-89 doi: 10.1007/s11705-016-1557-3

摘要： Small pore zeolites, containing 8-rings as the largest, are widely employed as catalysts in the process of methanol-to-olefins (MTO). Reactants and products diffuse with constraints through 8-rings and this is one of the reaction bottlenecks related to zeolite micropore topology. Small pore zeolites and silicon-aluminophosphates(SAPOs) containing cavities, where olefins are mainly formed through the hydrocarbon pool (HP) mechanism, are frequently tested for MTO. Shape selectivity of transition states within the side-chain methylation will be reviewed as this is one of the controlling steps of the MTO process, with particular attention to the role of hexamethylbenzene (HMB) and heptamethylbenzenium cation (HeptaMB ), which are the most tipically detected reaction intermediates, common to the paring and side-chain routes within the HP mechanism. The relative stability of these and other species will be reviewed in terms of confinement effects in different cage-based zeolites. The role of the different alkylating agents, methanol, dimethyl ether (DME), and surface methoxy species (SMS) will also be reviewed from the computational viewpoint.

关键词： small pore zeolites     SAPOs     methanol-to-olefins     hydrocarbon pool mechanism     alkylation of polymethylbenzenes    

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Floret-like Fe–N nanoparticle-embedded porous carbon superstructures from a Fe-covalent triazine polymer boosting oxygen electroreduction

《化学科学与工程前沿（英文）》 2023年 第17卷 第5期   页码 525-535 doi: 10.1007/s11705-022-2232-5

摘要： Fe–Nx nanoparticles-embedded porous carbons with a desirable superstructure have attracted immense attention as promising catalysts for electrochemical oxygen reduction reaction. Herein, we employed Fe-coordinated covalent triazine polymer for the fabrication of Fe–Nx nanoparticle-embedded porous carbon nanoflorets (Fe/N@CNFs) employing a hypersaline-confinement-conversion strategy. Presence of tailored N types within the covalent triazine polymer interwork in high proportions contributes to the generation of Fe/N coordination and subsequent Fe–Nx nanoparticles. Owing to the utilization of NaCl crystals, the resultant Fe/N@CNF-800 which was generated by pyrolysis at 800 °C showed nanoflower structure and large specific surface area, which remarkably suppressed the agglomeration of high catalytic active sites. As expect, the Fe/N@CNF-800 exhibited unexpected oxygen reduction reaction catalytic performance with an ultrahigh half-wave potential (0.89 V vs. reversible hydrogen electrode), a dominant 4e– transfer approach and great cycle stability (> 92% after 100000 s). As a demonstration, the Fe/N-PCNF-800-assembled zinc–air battery delivered a high open circuit voltage of 1.51 V, a maximum peak power density of 164 mW·cm–2, as well as eminent rate performance, surpassing those of commercial Pt/C. This contribution offers a valuable avenue to exploit efficient metal nanoparticles-based carbon catalysts towards energy-related electrocatalytic reactions and beyond.

关键词： Fe–Nx nanoparticles     hypersaline-confinement conversion     floret-like carbon     covalent triazine polymers     oxygen reduction reaction    

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Innovative hybrid reinforcement constituting conventional longitudinal steel and FRP stirrups for improved seismic strength and ductility of RC structures

Mostafa FAKHARIFAR,Ahmad DALVAND,Mohammad K. SHARBATDAR,Genda CHEN,Lesley SNEED

《结构与土木工程前沿（英文）》 2016年 第10卷 第1期   页码 44-62 doi: 10.1007/s11709-015-0295-9

摘要： The use of fiber reinforced polymer (FRP) reinforcement is becoming increasingly attractive in construction of new structures. However, the inherent linear elastic behavior of FRP materials up to rupture is considered as a major drawback under seismic attacks when significant material inelasticity is required to dissipate the input energy through hysteretic cycles. Besides, cost considerations, including FRP material and construction of pre-fabricated FRP configurations, especially for stirrups, and probable damage to epoxy coated fibers when transported to the field are noticeable issues. The current research has proposed a novel economical hybrid reinforcement scheme for the next generation of infrastructures implementing on-site fabricated FRP stirrups comprised of FRP sheets. The hybrid reinforcement consists of conventional longitudinal steel reinforcement and FRP stirrups. The key feature of the proposed hybrid reinforcement is the enhanced strength and ductility owing to the considerable confining pressure provided by the FRP stirrups to the longitudinal steel reinforcement and core concrete. Reinforced concrete beam specimens and beam-column joint specimens were tested implementing the proposed hybrid reinforcement. The proposed hybrid reinforcement, when compared with conventional steel stirrups, is found to have higher strength, stiffness, and energy dissipation. Design methods, structural behavior, and applicability of the proposed hybrid reinforcement are discussed in detail in this paper.

关键词： FRP     ductility     confinement     seismic     shear    

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Development of deep neural network model to predict the compressive strength of FRCM confined columns

Khuong LE-NGUYEN; Quyen Cao MINH; Afaq AHMAD; Lanh Si HO

《结构与土木工程前沿（英文）》 2022年 第16卷 第10期   页码 1213-1232 doi: 10.1007/s11709-022-0880-7

摘要： The present study describes a reliability analysis of the strength model for predicting concrete columns confinement influence with Fabric-Reinforced Cementitious Matrix (FRCM). through both physical models and Deep Neural Network model (artificial neural network (ANN) with double and triple hidden layers). The database of 330 samples collected for the training model contains many important parameters, i.e., section type (circle or square), corner radius rc, unconfined concrete strength fco, thickness nt, the elastic modulus of fiber Ef , the elastic modulus of mortar Em. The results revealed that the proposed ANN models well predicted the compressive strength of FRCM with high prediction accuracy. The ANN model with double hidden layers (APDL-1) was shown to be the best to predict the compressive strength of FRCM confined columns compared with the ACI design code and five physical models. Furthermore, the results also reveal that the unconfined compressive strength of concrete, type of fiber mesh for FRCM, type of section, and the corner radius ratio, are the most significant input variables in the efficiency of FRCM confinement prediction. The performance of the proposed ANN models (including double and triple hidden layers) had high precision with R higher than 0.93 and RMSE smaller than 0.13, as compared with other models from the literature available.

关键词： FRCM     deep neural networks     confinement effect     strength model     confined concrete    

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Efficient hydrothermal deoxygenation of methyl palmitate to diesel-like hydrocarbons on carbon encapsulated Ni–Sn intermetallic compounds with methanol as hydrogen donor

《化学科学与工程前沿（英文）》 2023年 第17卷 第2期   页码 139-155 doi: 10.1007/s11705-022-2217-4

摘要： Porous carbon-encapsulated Ni and Ni–Sn intermetallic compound catalysts were prepared by the one-pot extended Stöber method followed by carbonization and tested for in-situ hydrothermal deoxygenation of methyl palmitate with methanol as the hydrogen donor. During the catalyst preparation, Sn doping reduces the size of carbon spheres, and the formation of Ni–Sn intermetallic compounds restrain the graphitization, contributing to larger pore volume and pore diameter. Consequently, a more facile mass transfer occurs in carbon-encapsulated Ni–Sn intermetallic compound catalysts than in carbon-encapsulated Ni catalysts. During the in-situ hydrothermal deoxygenation, the synergism between Ni and Sn favors palmitic acid hydrogenation to a highly reactive hexadecanal that easily either decarbonylate to n-pentadecane or is hydrogenated to hexadecanol. At high reaction temperature, hexadecanol undergoes dehydrogenation–decarbonylation, generating n-pentadecane. Also, the C–C bond hydrolysis and methanation are suppressed on Ni–Sn intermetallic compounds, favorable for increasing the carbon yield and reducing the H2 consumption. The n-pentadecane and n-hexadecane yields reached 88.1% and 92.8% on carbon-encapsulated Ni3Sn2 intermetallic compound at 330 °C. After washing and H2 reduction, the carbon-encapsulated Ni3Sn2 intermetallic compound remains stable during three recycling cycles. This is ascribed to the carbon confinement that effectively suppresses the sintering and loss of metal particles under harsh hydrothermal conditions.

关键词： extended Stöber method     carbon encapsulated Ni–Sn intermetallic compounds     confinement     in-situ hydrothermal deoxygenation     hydrogenation     decarbonylation    

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氟化石墨嵌锂和嵌钠行为的第一性原理研究 Article

饶凤雅,王志强,徐波,陈立泉,欧阳楚英

《工程（英文）》 2015年 第1卷 第2期   页码 243-246 doi: 10.15302/J-ENG-2015039

摘要：

通过第一性原理计算研究了嵌入锂/钠后氟化石墨结构的演化过程。计算考虑了单层氟化石墨上和体相氟化石墨中的锂/钠嵌入。与锂的嵌入相比，将钠嵌入氟化石墨 (CF) 正极中所表现的循环性能更好，这是因为锂–氟间相互作用和钠–氟间相互作用的强度和特点不同。锂和氟之间的相互作用与钠和氟之间的相互作用相比更强且更集中。这种锂–氟之间强烈的库仑吸引作用破坏了F—C，并将氟原子拔出，从而导致在锂嵌入过程中形成单层石墨烯。

关键词： 第一性原理     锂/钠可充电电池     氟化石墨    

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Plasmonic Au nanoparticles supported on both sides of TiO2 hollow spheres for maximising photocatalytic activity under visible light

Jianwei Lu, Lan Lan, Xiaoteng Terence Liu, Na Wang, Xiaolei Fan

《化学科学与工程前沿（英文）》 2019年 第13卷 第4期   页码 665-671 doi: 10.1007/s11705-019-1815-2

摘要： A strategy of intensifying the visible light harvesting ability of anatase TiO hollow spheres (HSs) was developed, in which both sides of TiO HSs were utilised for stabilising Au nanoparticles (NPs) through the sacrificial templating method and convex surface-induced confinement. The composite structure of single Au NP yolk-TiO shell-Au NPs, denoted as Au@Au(TiO , was rendered and confirmed by the transmission electron microscopy analysis. Au@Au(TiO showed enhanced photocatalytic activity in the degradation of methylene blue and phenol in aqueous phase under visible light surpassing that of other reference materials such as Au(TiO by 77% and Au@P25 by 52%, respectively, in phenol degradation.

关键词： TiO2 hollow spheres     plasmonic Au nanoparticles     confinement     visible light     photocatalytic degradation    

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Analysis-oriented stress–strain models for ultra-high-performance concrete confined with fiber-reinforced polymer

S.S. Zhang,J.J. Wang,Guan Lin,X.F. Nie,

《工程（英文）》 doi: 10.1016/j.eng.2024.08.002

摘要： The use of fiber-reinforced polymer (FRP) jackets or tubes as confining devices can significantly improve the compressive performance of ultra-high-performance concrete (UHPC). For FRP-confined UHPC, an analysis-oriented stress–strain model is essential for a comprehensive understanding of its compressive behavior and the development of design models. Although several analysis-oriented stress–strain models have been developed for FRP-confined normal-strength concrete (NSC), such models for FRP-confined UHPC are still lacking. In this study, an experiment is conducted to investigate the failure mechanism of UHPC confined with FRP under concentric compression, and the stress–strain behavior of the FRP-confined UHPC is analyzed using the stress–strain models of actively-confined UHPC. Results showed that the stress-path-independency assumption, which has been proven to apply to FRP-confined NSC, was inapplicable to FRP-confined UHPC. By modifying the confining pressure to consider the influence of stress-path dependency, an analysis-oriented model was proposed. The proposed model was verified using a collected test database. The results show that the proposed model accurately predicted the stress–strain behavior of FRP-confined UHPC.

关键词： Ultra-high-performance concrete (UHPC)     Fiber-reinforced polymer (FRP)     Confinement mechanism     Stress-path dependency     Stress–strain model    

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表面驱动高压工艺 Perspective

Keith E. Gubbins, Kai Gu, Liangliang Huang, Yun Long, J. Matthew Mansell, Erik E. Santiso, Kaihang Shi, Małgorzata Ś liwińska-Bartkowiak, Deepti Srivastava

《工程（英文）》 2018年 第4卷 第3期   页码 311-320 doi: 10.1016/j.eng.2018.05.004

摘要：

许多化学过程都要在高压下进行，因为高压状态能提高产率，加快化学反应的速率，分离过程中提高溶剂功率，并通过增加分子能量和分子碰撞率来克服活化作用的障碍。通过金刚石砧室压力能高达数百万巴，实验室就能达到这种效果，因此为利用热力学、输运和电子性质来进行化学合成以及合成新材料提供了新的途径。然而，在工业规模上，高压工艺目前正受到压缩成本和有限材料的约束，因此很少有工业过程能够在在压力超过25 MPa的情况下进行。本文提出了一种高压工艺的替代方法，即利用来自固体底物的表面驱动的相互作用产生非常高的局部压力。近期的实验和分子模拟表明，这种相互作用可以产生高达数万巴的局部压力，某些情况下甚至可以达到数百万巴。由于活跃的高压区域分布不均匀，压力在不同方向上存在差异。在许多情况下，增强最多的是平行于底物表面的压力（切向压力）。这种压力是施加在要加工的分子上的，而不是施加在固体底物或容器上。本文综述了现阶段对这种增压的认识，并讨论了一种基于表面驱动力的可行方法来达到高压处理的效果。这种表面驱动高压处理的优点在于，相比传统的整体相位处理，它能达到更高的压力，因为它不需要机械压缩。此外，过程中没有对容器施加更大的压力，因此不用担心材料受损。

关键词： 限制     高压     高压相     高压反应     高压制造     高压化学工艺    

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聚变能源研究态势及展望

彭先觉,高翔,李建刚,刘永,邓建军,李正宏,周良骥,师学明

《中国工程科学》 2024年 第26卷 第4期   页码 190-197 doi: 10.15302/J-SSCAE-2024.04.005

摘要：

聚变能源开发有望重塑未来能源发展格局，正处于突破工程能量“得失相当”的关键阶段，机遇与挑战并存。本文总结了聚变能源研究的主要进展，凝练了能量平衡尚未实现、氚自持尚未得到验证、实现高可利用率难度极高、耐辐照材料开发进展缓慢、使用经济性普遍较差等发展挑战。在梳理国际热核聚变实验堆（ITER）计划的共性基础技术突破、成员国配套研究的基础上，归纳了我国磁约束聚变研究的整体规划、自主项目部署、技术路线跟踪等方面的进展。进一步，围绕我国自主提出的Z箍缩聚变裂变混合堆（Z-FFR）概念，阐述了基本原理、应用优势、系列进展，提出了面向2040 年实现商业化供能目标的发展规划，涵盖关键技术攻关、工程演示、商业发电推广等阶段的任务目标。为了全面推进我国聚变能源开发进程，建议在磁约束聚变方面深入参与ITER计划和相关国际合作，攻克商用聚变堆关键物理与工程技术，开展中国聚变工程实验堆（CFETR）主机关键部件研发并适时建设和运营CFETR；在Z-FFR 方面，加快“电磁驱动大科学装置”建设，开展聚变能源关键技术攻关，推进Z-FFR工程演示和商业应用。

关键词： 聚变能源；磁约束聚变；中国聚变工程实验堆；Z箍缩聚变裂变混合堆；商业化供能    

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标题 作者 时间 类型 操作

Engineering the electronic and geometric structure of VO/BN@TiO heterostructure for efficient aerobic oxidative desulfurization

期刊论文

Magnetic confinement fusion: a brief review

Chuanjun HUANG, Laifeng LI

期刊论文

Confinement properties of circular concrete columns wrapped with prefabricated textile-reinforced fine

期刊论文

Vanadium oxide cathode with synergistic engineering of calcium-ion intercalation and polyaniline coating

期刊论文

Regulation of Oxygen Activity by Lattice Confinement over NixMg1- xO Catalysts for Renewable Hydrogen

期刊论文

Confinement effects in methanol to olefins catalysed by zeolites: A computational review

German Sastre

期刊论文

Floret-like Fe–N nanoparticle-embedded porous carbon superstructures from a Fe-covalent triazine polymer boosting oxygen electroreduction

期刊论文

Innovative hybrid reinforcement constituting conventional longitudinal steel and FRP stirrups for improved seismic strength and ductility of RC structures

Mostafa FAKHARIFAR,Ahmad DALVAND,Mohammad K. SHARBATDAR,Genda CHEN,Lesley SNEED

期刊论文

Development of deep neural network model to predict the compressive strength of FRCM confined columns

Khuong LE-NGUYEN; Quyen Cao MINH; Afaq AHMAD; Lanh Si HO

期刊论文

Efficient hydrothermal deoxygenation of methyl palmitate to diesel-like hydrocarbons on carbon encapsulated Ni–Sn intermetallic compounds with methanol as hydrogen donor

期刊论文

氟化石墨嵌锂和嵌钠行为的第一性原理研究

饶凤雅,王志强,徐波,陈立泉,欧阳楚英

期刊论文

Plasmonic Au nanoparticles supported on both sides of TiO2 hollow spheres for maximising photocatalytic activity under visible light

Jianwei Lu, Lan Lan, Xiaoteng Terence Liu, Na Wang, Xiaolei Fan

期刊论文

Analysis-oriented stress–strain models for ultra-high-performance concrete confined with fiber-reinforced polymer

S.S. Zhang,J.J. Wang,Guan Lin,X.F. Nie,

期刊论文

表面驱动高压工艺

Keith E. Gubbins, Kai Gu, Liangliang Huang, Yun Long, J. Matthew Mansell, Erik E. Santiso, Kaihang Shi, Małgorzata Ś liwińska-Bartkowiak, Deepti Srivastava

期刊论文

聚变能源研究态势及展望

彭先觉,高翔,李建刚,刘永,邓建军,李正宏,周良骥,师学明

期刊论文