北京航空航天大學(xué)

主要研究方向及特色：主要通過(guò)不同尺度計(jì)算并結(jié)合實(shí)驗(yàn)開(kāi)展以先端聚變能源材料為主的結(jié)構(gòu)材料方面的研究工作。【背景】核聚變能是未來(lái)的潛在能源。與裂變能相比，核聚變能在原料和能源的清潔安全方面具有非常大的優(yōu)勢(shì)。以2006年11月歐盟、美國(guó)、俄羅斯、日本、韓國(guó)、印度和中國(guó)七方在巴黎正式簽署協(xié)議啟動(dòng)國(guó)際熱核聚變實(shí)驗(yàn)堆（ITER）計(jì)劃為標(biāo)志，核聚變能的研究進(jìn)入了全球共同合作和研發(fā)的重要階段。核聚變能最終應(yīng)用的關(guān)鍵是材料問(wèn)題。聚變堆材料包括面對(duì)等離子體材料和支撐結(jié)構(gòu)材料。目前，鎢（W）和鉬（Mo）被認(rèn)為是最有前途的面對(duì)等離子體材料，而低活化鐵素體/馬氏體鋼被認(rèn)為是最有前途的結(jié)構(gòu)材料。【研究方向】面向聚變堆應(yīng)用的金屬材料結(jié)構(gòu)設(shè)計(jì)與性能預(yù)測(cè)；聚變等離子體與壁材料相互作用研究；金屬、金屬間化合物等結(jié)構(gòu)材料的結(jié)構(gòu)與性能研究；先進(jìn)計(jì)算算法和程序開(kāi)發(fā)。

電子信箱：LGH@buaa.edu.cn

辦公電話：010－82339917

辦公地點(diǎn)：北航主樓522房間

通信地址：學(xué)院路37號(hào)，北京航空航天大學(xué)物理學(xué)院

個(gè)人簡(jiǎn)介：

呂廣宏，教授、博士生導(dǎo)師。日本東京大學(xué)工學(xué)博士。中國(guó)科學(xué)院等離子體物理研究所兼職研究員、博士生導(dǎo)師。教育部新世紀(jì)人才，人事部高層次留學(xué)回國(guó)人員工作資助人選。物理科學(xué)與核能工程學(xué)院副院長(zhǎng)。曾任東京大學(xué)生產(chǎn)技術(shù)研究所特別研究員、美國(guó)猶他大學(xué)研究助理教授等職。從事計(jì)算物理/計(jì)算材料學(xué)方面的工作，應(yīng)用第一原理、分子動(dòng)力學(xué)、熱力學(xué)、相場(chǎng)等計(jì)算方法研究物質(zhì)和材料的結(jié)構(gòu)與性能。中國(guó)材料學(xué)會(huì)理事、中國(guó)計(jì)算物理學(xué)會(huì)理事、中國(guó)材料研究學(xué)會(huì)青年委員會(huì)理事、中國(guó)金屬學(xué)會(huì)材料科學(xué)分會(huì)理事。“第九屆固體輻照效應(yīng)計(jì)算模擬國(guó)際會(huì)議”大會(huì)共同主席，組委會(huì)主席。國(guó)家杰出青年基金獲得者。

圍繞聚變堆金屬材料輻照損傷機(jī)制、結(jié)構(gòu)性能關(guān)系與微結(jié)構(gòu)設(shè)計(jì)開(kāi)展了系統(tǒng)研究工作，發(fā)現(xiàn)氫在金屬缺陷區(qū)域占位的最佳電子密度規(guī)則，揭示氫泡形成的空位機(jī)制；提出通過(guò)惰性氣體摻雜改變?nèi)毕輩^(qū)域電子密度有效阻止氫分子形成、從而抑制氫泡形成的方法；提出預(yù)設(shè)孔洞/通道調(diào)控氫/氦濃度以抑制等離子體輻照的材料微結(jié)構(gòu)設(shè)計(jì)思想；發(fā)展氫泡聚集與臨界特性研究的連續(xù)多尺度方法，建立氫在空位占據(jù)幾率與溫度等的定量關(guān)系，可預(yù)測(cè)氫大量聚集從而導(dǎo)致氫泡快速生長(zhǎng)的臨界溫度與濃度，有望用于判斷金屬材料失效行為；建立聚變用金屬材料基礎(chǔ)物性數(shù)據(jù)庫(kù)，發(fā)展了利用這些基本數(shù)據(jù)設(shè)計(jì)滿足聚變需求金屬材料的方法。近5年以第一/通訊作者發(fā)表SCI文章46篇，他引300余次；主編文集2部；申請(qǐng)專利5項(xiàng)，授權(quán)3項(xiàng)；組織國(guó)際會(huì)議/分會(huì)3次，國(guó)際原子能機(jī)構(gòu)特別報(bào)告1次，國(guó)際會(huì)議邀請(qǐng)報(bào)告7次；“固體輻照效應(yīng)計(jì)算機(jī)模擬”會(huì)議國(guó)際顧問(wèn)委員，科技部ITER專項(xiàng)“托卡馬克等離子體與壁材料相互作用首席科學(xué)家”。

聯(lián)系方式：

100083北京市海淀區(qū)學(xué)院路37號(hào)

北京航空航天大學(xué)物理科學(xué)與核能工程學(xué)院

郵箱：LGH@buaa.edu.cn

電話：010-82339917

傳真：010-82339917

代表性文章如下：

聚變堆材料輻照效應(yīng)/聚變等離子體與壁相互作用

1. Lei Zhang, Chu-Chun Fu*, and Guang-Hong Lu*, Energetic landscape and diffusion of He in α-Fe grain boundaries from first principles, Physical Review B, 87, 134107 (2013).

2. Hong-Bo Zhou, Shuo Jin, Ying Zhang, Guang-Hong Lu*, and Feng Liu, Anisotropic Strain Enhanced Hydrogen Solubility in bcc Metals: The Independence on the Sign of Strain, Physical Review Letters 109, 135502 (2012).

3. Lei Zhang, Ying Zhang, Wen-Tong Geng, and Guang-Hong Lu, Towards theoretical connection between tensile strength of a grain boundary and segregated impurity concentration: Helium in iron as an example, Europhysics Letters 98, 17001 (2012).

4. Xiao-Chun Li, Xiaolin Shu, Yi-Nan Liu, Yi Yu, F. Gao, Guang-Hong Lu, Analytical W-He and H-He interatomic potentials for a W-H-He system, Journal of Nuclear Materials 426, 31 (2012).

5. Long Chen, Yue-Lin Liu, Hong-Bo Zhou, Shuo Jin, Ying Zhang, and Guang-Hong Lu, Stability and diffusion properties of self-interstitial atoms in tungsten: a first-principles investigation, SCIENCE CHINA Physics, Mechanics & Astronomy 55, 614 (2012).

6. Hong-Bo Zhou, Shuo Jin, Yue-Lin Liu, Ying Zhang, Guang-Hong Lu, and Feng Liu, Stress Tensor: A Quantitative Indicator of Effective Volume and Stability of Helium in Metals, Europhysics Letters 96, 66001 (2011).

7. Hong-Bo Zhou, Yue-Lin Liu, Chen Duan, Shuo Jin, Ying Zhang, Fei Gao, Xiaolin Shu, and Guang-Hong Lu, Effect of vacancy on the sliding of an iron grain boundary, Journal of Applied Physics 109, 113512 (2011).

8. Hong-Bo Zhou, Shuo Jin, Ying Zhang, and Guang-Hong Lu, First-principles study of carbon effects on a tungsten grain boundary: site preference, segregation and strengthening, SCIENCE CHINA Physics, Mechanics & Astronomy 54, 2164 (2011).

9. Hong-Bo Zhou, Shuo Jin, Ying Zhang, and Guang-Hong Lu, Effects of hydrogen on a tungsten grain boundary: A first-principles computational tensile test, Progress in Natural Science: Materials international 21, 240 (2011).

10. Wen-Ying Li, Ying Zhang, Hong-Bo Zhou, Shuo Jin, and Guang-Hong Lu, Stress effects on stability and diffusion of H in W: A first-principles study, Nuclear Instruments and Methods in Physics Research Section B 269, 1731 (2011).

11. Shuo Jin, Yue-Lin Liu, Hong-Bo Zhou, Ying Zhang, and Guang-Hong Lu, First-principles investigation on the effect of carbon on hydrogen trapping in tungsten, Journal of Nuclear Materials 415, S709 (2011).

12. Jian Luo, Hong-Bo Zhou, Yue-Lin Liu, Li-Jiang Gui, Shuo Jin, Ying Zhang, and Guang-Hong Lu, Dissolution, diffusion and permeation behavior of hydrogen in vanadium: a first-principles investigation, Journal of Physics: Condensed Matter 23, 135501 (2011).

13. Xiao-Chun Li, Xiaolin Shu, Yi-Nan Liu, Fei Gao, and Guang-Hong Lu, Modified analytical interatomic potential for a W-H system with defects, Journal of Nuclear Materials 408, 12 (2011).

14. Yue-Lin Liu, Hong-Bo Zhou, Shuo Jin, Ying Zhang, and Guang-Hong Lu, Effects of H on the structure and the mechanical properties of W: A first-principles investigation, Chinese Physics Letters 27, 127101 (2010).

15. Hong-Bo Zhou, Yue-Lin Liu, Shuo Jin, Ying Zhang, Guang-Nan Luo and Guang-Hong Lu, Towards suppressing H blistering by investigating the physical origin of the H-He interaction in W, Nuclear Fusion 50, 115010 (2010).

16. Yue-Lin Liu, Hong-Bo Zhou, Shuo Jin, Ying Zhang and Guang-Hong Lu, Dissolution and diffusion properties of carbon in tungsten, Journal of Physics: Condensed Matter 22, 445504 (2010).

17. Lei Zhang, Xiao-Lin, Shuo Jin, Ying Zhang and Guang-Hong Lu, First-principles study of He effects in a bcc Fe grain boundary: site preference, segregation and theoretical tensile strength, Journal of Physics: Condensed Matter 22, 375401 (2010).

18. Chen Duan, Yue-Lin Liu, Hong-Bo Zhou, Ying Zhang, Shuo Jin, Guang-Hong Lu, First-principles study on dissolution and diffusion properties of hydrogen in molybdenum, Journal of Nuclear Materials 404, 119 (2010).

19. Hong-Bo Zhou, Yue-Lin Liu, Shuo Jin, Ying Zhang, and Guang-Hong Lu, and G.-N. Luo, Investigating behaviors of H in a W grain boundary by first-principles: from dissolution and diffusion to a trapping mechanism, Nuclear Fusion 50, 025016 (2010).

20. Abdullah Alkhamees, Yue-Lin Liu, Hong-Bo Zhou, Ying Zhang, and Guang-Hong Lu, First-principles investigation on dissolution and diffusion of oxygen in tungsten, Journal of Nuclear Materials, 393, 508 (2009).

21. Yue-Lin Liu, Hong-Bo Zhou, Ying Zhang, Shuo Jin and Guang-Hong Lu, The ideal tensile strength and deformation behavior of a tungsten single crystal, Nuclear Instruments and Methods in Physics Research. Section B, 267, 3282 (2009).

22. Yue-Lin Liu, Hong-Bo Zhou, Ying Zhang, Shuo Jin and Guang-Hong Lu, Effect of He on the structure and bonding properties of W: a first-principles computational tensile test, Nuclear Instruments and Methods in Physics Research. Section B, 267, 3193 (2009).

23. Hong-Bo Zhou, Yue-Lin Liu, Ying Zhang, Shuo Jin and Guang-Hong Lu, First-principles investigation energetics and site preference of He in a W grain boundary, Nuclear Instruments and Methods in Physics Research. Section B, 267, 3189 (2009).

24. Ying Zhang, W.-Q. Feng, Yue-Lin Liu, Guang-Hong Lu, and Tianmin Wang, First-principles study of helium effect in a ferromagnetic iron grain boundary: energetics, site preference, and segregation, Nuclear Instruments and Methods in Physics Research. Section B, 267, 3200 (2009).

25. Xiaochun Li, F. Gao, and Guang-Hong Lu, Molecular dynamics simulation of interaction of H with vacancy in W, Nuclear Instruments and Methods in Physics Research. Section B, 267, 3199 (2009).

26. Zhongshi Yang, Q. Xu, Junqi Liao, Guang-Hong Lu, G.-N. Luo, Study on C-W interactions by molecular dynamics simulations, Nuclear Instruments and Methods in Physics Research. Section B, 267, 3144 (2009).

27. G. -N. Luo, K. Umstadter, W. M. Shu, W. Wampler, Guang-Hong Lu, Behavior of tungsten with exposure to deuterium plasmas, Nuclear Instruments and Methods in Physics Research. Section B, 267, 3041 (2009).

28. Yue-Lin Liu, Y. Zhang, H.-B. Zhou, Guang-Hong Lu, Feng Liu, and G.-N. Luo, “Vacancy trapping mechanism for hydrogen bubble formation in metal”, Physical Review B 79, 172103 (2009). (Brief Report)

29. Zhongshi Yang, Y.M. Yang, Guang-Hong Lu, and G.-N. Luo, Molecular dynamics simulations of atomic carbon on tungsten surface, Journal of Nuclear Materials 390, 136 (2009).

30. Yue-Lin Liu, Ying Zhang, G.-N. Luo, and Guang-Hong Lu, Structure, stability and diffusion of hydrogen in tungsten, A first-principles study, Journal of Nuclear Materials 390, 1032 (2009).

31. Yue-Lin Liu, Ying Zhang, Rong-Jie Hong, and Guang-Hong Lu, Study of theoretical tensile strength of Fe by a first-principles computational tensile test, Chinese Physics 18, 1674 (2009).

Intermetallics/stuctural materails

1. Ye Wei, Ying Zhang, Hong-Bo Zhou, Guang-Hong Lu, Huibin Xu, First-principles investigation on shear deformation of a TiAl/Ti3Al interface and effects of oxygen, Intermetallics 22, 41 (2012).

2. Ye Wei, Ying Zhang, Guang-Hong Lu, Huibin Xu, “First-principles study of site occupancy and interfacial energetics of a H-doped TiAl-Ti3Al alloy”, SCIENCE CHINA Physics, Mechanics & Astronomy 55, 1 (2012).

3. Ye Wei, Hong-Bo Zhou, Ying Zhang, Guang-Hong Lu, and Huibin Xu, Effects of O in a binary-phase TiAl-Ti3Al alloy: from site occupancy to interfacial energetics, Journal of Physics: Condensed Matter 23, 225504 (2011).

4. Xue-Lan Hu, Li-Hua Liu, Ying Zhang, Guang-Hong Lu, and Tianmin Wang, Energy investigation of effects of O on mechanical properties of NiAl intermetallics, Journal of Physics: Condensed Matter 23, 025501 (2011).

5. Ye Wei, Ying Zhang, Guang-Hong Lu, Hui-Bin Xu, Site preference and elastic properties of A2-Ti3Al of with oxygen impurity: a first-principles study, International Journal of Modern Physics B 24, 2749 (2010).

6. Hong-Bo Zhou, Ye Wei, Yue-Lin Liu, Ying Zhang and Guang-Hong Lu, First-principles investigation of site preference and bonding properties of alloying element in TiAl with O impurity, Modelling and Simulation in Materials Science and Engineering 18, 015007 (2010).

7. Xue-Lan Hu, Ying Zhang, Guang-Hong Lu, and Tianmin Wang, Role of the alloying element on suppressing the negative effect of in NiAl: Cr as an example, Scripta Materialia 61, 189 (2009).

8. Hong-Bo Zhou, Ying Zhang, Yue-Lin Liu, Xue-Lan Hu, Masanori Kohyama, Peng-Gang Yin, Guang-Hong Lu, First-principles characterization of anisotropy of theoretical strength and stress-strain relation for TiAl intermetallic compound, Journal of Physics: Condensed Matter 21, 175407 (2009).

9. Li-Hua Liu, Ying Zhang, Xue-Lan Hu and Guang-Hong Lu, Formation of a coplanar O-Al bonding cluster: the effect of O impurity on a sigma=5 NiAl grain boundary by first-principles, Journal of Physics: Condensed Matter 21, 015002 (2009).

10. Xue-Lan Hu, Ying Zhang, Guang-Hong Lu, Tianmin Wang, Bonding characteristics in a NiAl intermetallics with O impurity: a first-principles computational tensile test, Journal of Physics: Condensed Matter 21, 025402 (2009).

11. Xue-Lan Hu, Ying Zhang, Guang-Hong Lu, Tianmin Wang, Peng-Hao Xiao, Peng-Gang Yin and Huibin Xu, Effect of O impurity on structure and mechanical properties of NiAl intermetallics: a first-principles study, Intermetallics 17, 358 (2009).

Metal grain boundary

1. Ying Zhang, Guang-Hong Lu, Xue-Lan Hu, Tianmin Wang, M. Kohyama, R. Yamamoto, First-principles computational tensile test on a Na-segregated Al grain boundary with an Si additive and an intergranular embrittlement suppression mechanism, Journal of Physics: Condensed Matter 19, 456225 (2007).

2. Ying Zhang, Guang-Hong Lu, Shenghua Deng, Tianmin Wang, H. Xu, M. Kohyama, and R. Yamamoto, “Weakening of an aluminum grain boundary induced by sulfur segregation：a first-principles computational tensile test”, Physical Review B 75, 174101 (2007).

3. Ying Zhang, Guang-Hong Lu, H. Zhang, Tianmin Wang, S. Deng, X. Hu, Effect of a Si additive on an Al grain boundary: a first-principles investigation, Materials Science Forum 546, 829 (2007).

4. Ying Zhang, Guang-Hong Lu, Tianmin Wang, S. Deng, M. Kohyama, and R. Yamamoto, Effects of segregated Ga on an Al grain boundary: a first-principles computational tensile test, Materials Transactions 47, 2678 (2006).

5. Guang-Hong Lu, Ying Zhang, Shenghua Deng, Tianmin Wang, M. Kohyama, R. Yamamoto, Feng Liu, K. Horikawa, and M. Kanno, Origin of Al intergranular Embrittlement by Na and Ca segregation: grain boundary weakening, Physical Review B 73, 224115 (2006).

6. Ying Zhang, Guang-Hong Lu, S. Deng, Tianmin Wang, X. Shu, M. Kohyama, R. Yamamoto, First-principles study of effects of segregated Ga on an Al grain boundary, Journal of Physics: Condensed Matter 18, 5121 (2006).

7. Guang-Hong Lu, M. Kohyama, R. Yamamoto, First principles pseudopotential study on an aluminum grain boundaries containing sulfur atoms, Philosophical Magazine Letters 83, 159 (2003).

8. Guang-Hong Lu, M. Kohyama, R. Yamamoto, Effects of impurities on an aluminum grain boundary, Materials Transactions 44, 337 (2003).

9. Guang-Hong Lu, M. Kohyama, R. Yamamoto, Ab initio studies on the effects of Si and S impurities on Al grain boundary, Materials Transactions 42, 2238 (2001).

10. Guang-Hong Lu, A. Suzuki, A. Ito, M. Kohyama, R. Yamamoto, Ab initio pseudopotential studies on Al sigma 9 grain boundary: effects of Na and Ca impurities, Philosophical Magazine Letters 81, 757 (2001).

11. Guang-Hong Lu, A. Suzuki, A. Ito, M. Kohyama, R. Yamamoto, Comparison of effects of sodium and silicon impurities on aluminum grain boundary by first principles calculation, Modeling and Simulation in Materials Science and Engineering 8, 727 (2000).

Others

1. Linyun Liang, Y. L. Li, S. Y. Hu, Long-Qing Chen, and Guang-Hong Lu, Piezoelectric anisotropy of a KNbO3 single crystal, Journal of Applied Physics 108, 094111 (2010).

2. Linyun Liang, Y. L. Li, Long-Qing Chen, S. Y. Hu, and Guang-Hong Lu, Thermodynamics and ferroelectric properties of KNbO3, Journal of Applied Physics 106, 104118 (2009).

3. Li-Zhi Xu, Yue-Lin Liu, Hong-Bo Zhou, Li-Hua Liu, Ying Zhang, and Guang-Hong Lu, Ideal strengths, structure transitions, and bonding properties of a ZnO single crystal under tension, Journal of Physics: Condensed Matter 21, 495402 (2009).

4. Linyun Liang, Y.L. Li, Long-Qing Chen, S.Y. Hu, and Guang-Hong Lu, A thermodynamic free energy function for potassium niobate, Applied Physics Letters 94, 072904 (2009).

5. Jun Chen, Guang-Hong Lu, Honghong Cao, Tianmin Wang, and Yun Xu, Ferromagnetic mechanism in Ni-doped anatase TiO2, Applied Physics Letters 93, 172504 (2008).

6. Yue-Lin Liu, Ying Zhang, Hong-Bo Zhou, Guang-Hong Lu, and Masanori Kohyama, Theoretical strength and charge redistribution of fcc Ni in tension and shear, Journal of Physics: Condensed Matter 20, 335216 (2008).

7. Guang-Hong Lu, Q. Wang and Feng Liu, The role of vacancy on trapping interstitial O in heavily As-doped Si, Applied Physics Letters 92, 211906 (2008).

8. Yong Han, Guang-Hong Lu, Byeong-Joo Lee, and Feng Liu, Flat-surface, step-edge, facet-facet, and facet-step diffusion barriers in growth of a Pb mesa, Surface Science 602, 2284 (2008).

9. Lugang Bai, Decai Yu, Guang-Hong Lu, Feng Liu, Q. Wang, and H. Yilmaz, Confining P diffusion in Si by an As-doped barrier layer, Applied Physics Letters 91, 061926 (2007).

10. Li Huang, Guang-Hong Lu, Feng Liu, and X.G. Gong, First-principles study of adsorption and diffusion on Ge/Si(001)-(2x8) and Ge/Si(105)-(1x2) surfaces, Surface Science 601, 3067 (2007).

11. Guang-Hong Lu, Q. Wang, and Feng Liu, First-principles calculation of interaction between interstitial O and As dopant in heavily As-doped Si, Journal of Applied Physics 101, 026104 (2007).

12. Li Huang, Feng Liu, Guang-Hong Lu, and X.G. Gong, Surface mobility difference between Si and Ge and its effect on growth of SiGe alloy films and islands, Physical Review Letters 96, 016103 (2006).

13. B. Yan, P. Zhang, D. E. Savage, M.G. Lagally, Guang-Hong Lu, M. Huang, and F. Liu, A novel mechanism for self-organization of semiconductor nanocrystals by selective surface faceting process, Physical Review B 72, 235413 (2005).

14. Guang-Hong Lu, M. Cuma, and F. Liu, First-principles study of strain stabilization of Ge(105) facet on Si(001), Physical Review B 72, 125415 (2005).

15. Guang-Hong Lu, M. Huang, M. Cuma and F. Liu, Relative stability of Si surfaces: a first-principles study, Surface Science 588, 61 (2005).

16. Z.M. Liu, T. Cui, Z. He, W.J. He, C.B. Chen, G.T. Zou, and Guang-Hong Lu, Band structure of a lithium doped hydrogen system, Physica B: Condensed Matter 362, 136 (2005).

17. Guang-Hong Lu and F. Liu, Towards quantitative understanding of formation and stability of Ge hut island on Si(001), Physical Review Letters 94, 176103 (2005).

18. T. Tamura, Guang-Hong Lu, M. Kohyama, R. Yamamoto, E’ center in Ge-doped SiO2 glass, Physical Review B 70, 153201 (2004); 71, 089903(E) (2005).

19. Guang-Hong Lu, S. Deng, Tianmin Wang, M. Kohyama, R. Yamamoto, Theoretical tensile strength of an Al grain boundary, Physical Review B 69, 134106 (2004).

20. T. Tamura, Guang-Hong Lu, R. Yamamoto, M. Kohyama, S. Tanaka, Y. Tateizumi, MPI parallelication of the first-principles pseudopotential method program with respect to each band, Modelling and Simulation in Materials Science and Engineering 12, 945 (2004).

21. T. Tamura, Guang-Hong Lu, R. Yamamoto, M. Kohyama, First-Principles study of neutral oxygen vacancies in amorphous silica and germania, Physical Review B 69, 195204 (2004).

22. Y. Yang, Guang-Hong Lu, X. Guo, and R. Yamamoto, Greenness assessment of products in PLCA by DEA approach, Materials Transactions 44, 645 (2003).

23. J. Xu, M. Kamiko, Y. Zhou, Guang-Hong Lu, R. Yamamoto, L. Yu, I. Kojima, Structure transformations and superhardness effects in V/Ti nanostructured multilayer, Applied Physics Letters 81, 1189 (2002).