$\require{mediawiki-texvc}$

연합인증

연합인증 가입 기관의 연구자들은 소속기관의 인증정보(ID와 암호)를 이용해 다른 대학, 연구기관, 서비스 공급자의 다양한 온라인 자원과 연구 데이터를 이용할 수 있습니다.

이는 여행자가 자국에서 발행 받은 여권으로 세계 각국을 자유롭게 여행할 수 있는 것과 같습니다.

연합인증으로 이용이 가능한 서비스는 NTIS, DataON, Edison, Kafe, Webinar 등이 있습니다.

한번의 인증절차만으로 연합인증 가입 서비스에 추가 로그인 없이 이용이 가능합니다.

다만, 연합인증을 위해서는 최초 1회만 인증 절차가 필요합니다. (회원이 아닐 경우 회원 가입이 필요합니다.)

연합인증 절차는 다음과 같습니다.

최초이용시에는
ScienceON에 로그인 → 연합인증 서비스 접속 → 로그인 (본인 확인 또는 회원가입) → 서비스 이용

그 이후에는
ScienceON 로그인 → 연합인증 서비스 접속 → 서비스 이용

연합인증을 활용하시면 KISTI가 제공하는 다양한 서비스를 편리하게 이용하실 수 있습니다.

[해외논문] Effect of argon gas in oxygen catalytic recombination on a silica surface: A reactive molecular dynamics study

Acta astronautica, v.175, 2020년, pp.531 - 539  

Yang, Yosheph (Department of Aerospace Engineering, Korea Advanced Institute of Science and Technology) ,  Peddakotla, Sai Abhishek (Department of Aerospace Engineering, Indian Institute of Technology Kanpur) ,  Kumar, Rakesh (Department of Aerospace Engineering, Indian Institute of Technology Kanpur) ,  Park, Gisu (Department of Aerospace Engineering, Korea Advanced Institute of Science and Technology)

Abstract AI-Helper 아이콘AI-Helper

Abstract Molecular dynamics analysis using a reactive force field (ReaxFF) potential is carried out to investigate microscopically the effect of argon gas in atomic oxygen recombination on a silica surface. The effect of argon atoms is studied by computing both the potential energy surface of incom...

Keyword

참고문헌 (60)

  1. Acta Astronaut. Schüßler 65 5-6 676 2009 10.1016/j.actaastro.2009.01.048 Surface characterization of metallic and ceramic TPS-materials for reusable space vehicles 

  2. Stewart 1996 31st Thermophysics Conference, AIAA Paper 1996-1863, New Orleans, LA, USA Determination of surface catalytic efficiency for thermal protection materials - room temperature to their upper use limit 

  3. J. Jet Propuls. Goulard 28 11 737 1958 10.2514/8.7444 On catalytic recombination rates in hypersonic stagnation heat transfer 

  4. Prog. Aero. Sci. Herdrich 48-49 27 2012 10.1016/j.paerosci.2011.06.007 Experimental and numerical techniques to assess catalysis 

  5. Int. J. Heat Mass Tran. Yang 143 118510 2019 10.1016/j.ijheatmasstransfer.2019.118510 Experimental and numerical study of oxygen catalytic recombination of SiC-coated material 

  6. Int. J. Heat Mass Tran. Yang 137 1088 2019 10.1016/j.ijheatmasstransfer.2019.03.172 Analysis of catalytic heat transfer for a multi-species gas mixture 

  7. Acta Astronaut. Yang 170 570 2020 10.1016/j.actaastro.2020.02.032 Evaluation of blunt body velocity gradient at the shock tube end-wall 

  8. Appl. Therm. Eng. Kim 156 678 2019 10.1016/j.applthermaleng.2019.04.054 Experimental study of oxygen catalytic recombination on a smooth surface in a shock tube 

  9. IEEE Trans. Plasma Sci. Guerra 35 5 1397 2007 10.1109/TPS.2007.902028 Analytical model of heterogeneous atomic recombination on silica like surfaces 

  10. J. Thermophys. Heat Tran. Jumper 8 3 460 1994 10.2514/3.565 Model for oxygen recombination on reaction-cured glass 

  11. Langmuir Kim 7 12 2999 1991 10.1021/la00060a016 Recombination of oxygen, nitrogen, and hydrogen atoms on silica: kinetics and mechanism 

  12. Norman 2012 43rd AIAA Thermophysics Conference, AIAA Paper 2012-3097, New Orleans, LA, USA A computational chemistry methodology for developing an oxygen-silica finite rate catalytic model for hypersonic flows: Part II 

  13. Phys. Chem. Chem. Phys. Morón 13 39 17494 2011 10.1039/c1cp20828d Recombination and chemical energy accommodation coefficients from chemical dynamics simulations: O/O2 mixtures reacting over a β-cristobalite (001) surface 

  14. J. Phys. Chem. C Meana-Pañeda 119 17 9287 2015 10.1021/acs.jpcc.5b00120 Atomic oxygen recombination at surface defects on reconstructed (0001) α-quartz exposed to atomic and molecular oxygen 

  15. Acta Astronaut. Buchachenko 100 1 40 2014 10.1016/j.actaastro.2014.03.011 First-principle study of atomic oxygen and nitrogen adsorption on (111) β-cristobalite as a model of thermal protection coverage 

  16. Acta Astronaut. Kovalev 117 408 2015 10.1016/j.actaastro.2015.09.010 Quantum mechanics calculation of catalytic properties of a copper sensor for prediction of flow characteristics in plasmatron 

  17. Acta Astronaut. Buchachenko 113 142 2015 10.1016/j.actaastro.2015.04.001 Elementary stage rate coefficients of heterogeneous catalytic recombination of dissociated air on thermal protective surfaces from ab initio approach 

  18. J. Phys. Chem. van Duin 105 41 9396 2001 10.1021/jp004368u ReaxFF: A reactive force field for hydrocarbons 

  19. J. Phys. Chem. van Duin 107 19 3803 2003 10.1021/jp0276303 ReaxFF SiO reactive force field for silicon and silicon oxide systems 

  20. Nucl. Instrum. Methods Phys. Res. Sect. B Beam Interact. Mater. Atoms Russo 269 14 1549 2011 10.1016/j.nimb.2010.12.053 Atomistic-scale simulations of chemical reactions: Bridging from quantum chemistry to engineering 

  21. J. Phys. Chem. C Kulkarni 117 1 258 2013 10.1021/jp3086649 Oxygen interactions with silica surfaces: Coupled cluster and density functional investigation and the development of a new ReaxFF potential 

  22. J. Phys. Chem. C Norman 117 18 9311 2013 10.1021/jp4019525 The structure of silica surfaces exposed to atomic oxygen 

  23. J. Phys. Chem. C Mackay 120 42 24137 2016 10.1021/acs.jpcc.6b07365 Hydrogen recombination rates on silica from atomic-scale calculations 

  24. Cozmuta 2007 39th AIAA Thermophysics Conference, AIAA Paper 2007-4046, Miami, FL, USA Molecular mechanisms of gas surface interactions in hypersonic flow 

  25. J. Chem. Phys. Valentini 133 8 2010 10.1063/1.3469810 Molecular dynamics simulation of O2 sticking on Pt(111) using the ab initio based ReaxFF reactive force field 

  26. Kudo 2011 49th AIAA Aerospace Sciences Meeting Including the New Horizons Forum and Aerospace Exposition, AIAA Paper 2011-0627, Orlando, FL, USA Molecular dynamics analysis of surface catalysis in high-temperature gas 

  27. J. Mol. Model. Gamallo 20 4 2160 2014 10.1007/s00894-014-2160-5 ReaxFF molecular dynamics simulations of CO collisions on an O-preadsorbed silica surface 

  28. J. Phys. Chem. C Newsome 116 30 16111 2012 10.1021/jp306391p Oxidation of silicon carbide by O2 and H2O: A ReaxFF reactive molecular dynamics study, part I 

  29. J. Phys. Chem. C Newsome 117 10 5014 2013 10.1021/jp307680t High-temperature oxidation of SiC-based composite: Rate constant calculation from ReaxFF MD simulations, Part II 

  30. J. Phys. Chem. Šimonka 121 46 8791 2017 10.1021/acs.jpca.7b08983 ReaxFF reactive molecular dynamics study of orientation dependence of initial silicon carbide oxidation 

  31. Chem. Phys. Balat-Pichelin 291 2 181 2003 10.1016/S0301-0104(03)00152-6 Recombination coefficient of atomic oxygen on ceramic materials under earth re-entry conditions by optical emission spectroscopy 

  32. Plasma Sources Sci. Technol. Macko 13 2 251 2004 10.1088/0963-0252/13/2/009 Study of oxygen atom recombination on a Pyrex surface at different wall temperatures by means of time-resolved actinometry in a double pulse discharge technique 

  33. Osawa 2008 46th AIAA Aerospace Sciences Meeting and Exhibit, AIAA Paper 2008-1248, Reno, NV, USA Study of nitrogen recombination coefficient for SiC material surfaces 

  34. Osawa 2009 41st AIAA Thermophysics Conference, AIAA Paper 2009-3934, San Antonio, TX, USA Experimental and numerical investigation of catalytic efficiency of atomic oxygen recombination on TPS surfaces 

  35. Trans. Japan Soc. Aeronaut. Space Sci. Aerospace Technol. Japan Takayanagi 8 ists27 2010 Translational temperature distribution in an inductively coupled plasma flow for catalytic efficiency measurements 

  36. Suzuki 2013 51st AIAA Aerospace Sciences Meeting Including the New Horizons Forum and Aerospace Exposition, AIAA Paper 2013-742, Grapevine, TX, USA Experimental study for atomic oxygen catalytic efficiency on TPS surfaces using microwave discharged plasma 

  37. J. Spacecraft Rockets Park 50 3 540 2013 10.2514/1.A32312 Oxygen catalytic recombination on copper oxide in tertiary gas mixtures 

  38. Meyers 2013 44th AIAA Thermophysics Conference, AIAA Paper 2013-3140, San Diego, CA, USA Surface catalyzed reaction efficiencies in air plasmas using laser induced fluorescence measurements 

  39. J. Spacecraft Rockets Cheung 53 4 644 2016 10.2514/1.A33512 Nitrogen catalytic recombination on copper oxide in tertiary gas mixtures 

  40. J. Thermophys. Heat Tran. Fletcher 31 2 410 2017 10.2514/1.T4923 Surface catalyzed reaction efficiencies in oxygen plasmas from laser-induced fluorescence measurements 

  41. Palmer 2018 2018 AIAA Aerospace Sciences Meeting, AIAA Paper 2018-0496, Kissimmee, FL, USA The effect of surface catalycity on the predicted recession of TPS materials 

  42. Int. J. Heat Mass Tran. Kim 138 916 2019 10.1016/j.ijheatmasstransfer.2019.04.049 Experimental study of surface roughness effect on oxygen catalytic recombination 

  43. Acta Astronaut. Kim 166 260 2020 10.1016/j.actaastro.2019.10.030 Effect of titanium surface roughness on oxygen catalytic recombination in a shock tube 

  44. J. Comput. Phys. Plimpton 117 1 1 1995 10.1006/jcph.1995.1039 Fast parallel algorithms for short-range molecular dynamics 

  45. J. Phys. Chem. Kamat 114 48 12561 2010 10.1021/jp1080302 Molecular dynamics simulations of laser-induced incandescence of soot using an extended ReaxFF reactive force field 

  46. J. Appl. Crystallogr. Momma 41 3 653 2008 10.1107/S0021889808012016 VESTA: A three-dimensional visualization system for electronic and structural analysis 

  47. 10.1088/0965-0393/18/1/015012 A. Stukowski, Visualization and analysis of atomistic simulation data with OVITO-the open visualization tool, Model. Simulat. Mater. Sci. Eng. 18 (1). doi:10.1088/0965-0393/18/1/015012. 

  48. Am. Mineral. Downs 88 247 2003 The American mineralogist crystal structure database 

  49. Norman 2013 Atomistic Simulation of Non-Equilibrium Phenomena in Hypersonic Flows 

  50. Phys. Chem. Miner. Dove 24 4 311 1997 10.1007/s002690050043 Direct measurement of the Si-O bond length and orientational disorder in the high-temperature phase of cristobalite 

  51. J. Non-Cryst. Solids Nakano 171 2 157 1994 10.1016/0022-3093(94)90351-4 First sharp diffraction peak and intermediate-range order in amorphous silica: finite-size effects in molecular dynamics simulations 

  52. J. Thermophys. Heat Tran. Cacciatore 13 2 195 1999 10.2514/2.6436 Eley-Rideal and Langmuir-Hinshelwood recombination coefficients for oxygen on silica surfaces 

  53. Chem. Eng. Sci. Stallons 56 14 4205 2001 10.1016/S0009-2509(01)00021-5 Simulations of the structure and properties of amorphous silica surfaces 

  54. Comput. Optim. Appl. Gao 51 1 259 2012 10.1007/s10589-010-9329-3 Implementing the Nelder-Mead simplex algorithm with adaptive parameters 

  55. J. Thermophys. Heat Tran. Rutigliano 30 1 247 2016 10.2514/1.T4596 Recombination of oxygen atoms on silica surface: New and more accurate results 

  56. J. Comput. Phys. Garcia 217 2 693 2006 10.1016/j.jcp.2006.01.025 Generation of the Maxwellian inflow distribution 

  57. Norman 2010 Modeling Air-Silica Surface Catalysis in Hypersonic Environments Using ReaxFF Molecular Dynamics 

  58. Bond 12 1987 Heterogeneous Catalysis: Principles and Applications 

  59. J. Chem. Phys. Cohen 119 13 6415 2003 10.1063/1.1613631 First compounds with argon-carbon and argon-silicon chemical bonds 

  60. J. Thermophys. Heat Tran. Seward 5 3 284 1991 10.2514/3.262 Model for oxygen recombination on silicon-dioxide surfaces 

LOADING...

활용도 분석정보

상세보기
다운로드
내보내기

활용도 Top5 논문

해당 논문의 주제분야에서 활용도가 높은 상위 5개 콘텐츠를 보여줍니다.
더보기 버튼을 클릭하시면 더 많은 관련자료를 살펴볼 수 있습니다.

관련 콘텐츠

유발과제정보 저작권 관리 안내
섹션별 컨텐츠 바로가기

AI-Helper ※ AI-Helper는 오픈소스 모델을 사용합니다.

AI-Helper 아이콘
AI-Helper
안녕하세요, AI-Helper입니다. 좌측 "선택된 텍스트"에서 텍스트를 선택하여 요약, 번역, 용어설명을 실행하세요.
※ AI-Helper는 부적절한 답변을 할 수 있습니다.

선택된 텍스트

맨위로