[논문]Insight into the effect of Mo and Re on mechanical and thermodynamic properties of NbSi2 based silicide

Pan, Yong; Mao, Pengyu; Jiang, Huan; Wan, Yuanyuan; Guan, Weiming

doi:10.1016/j.ceramint.2017.01.055

Insight into the effect of Mo and Re on mechanical and thermodynamic properties of NbSi2 based silicide

Ceramics international, v.43 no.6, 2017년, pp.5274 - 5282

Pan, Yong (School of Materials Science and Engineering, Southwest Petroleum University, Chengdu 610500, China) , Mao, Pengyu (School of Materials Science and Engineering, Southwest Petroleum University, Chengdu 610500, China) , Jiang, Huan (School of Materials Science and Engineering, Southwest Petroleum University, Chengdu 610500, China) , Wan, Yuanyuan (School of Materials Science and Engineering, Southwest Petroleum University, Chengdu 610500, China) , Guan, Weiming (State Key Laboratory of Advanced Technologies for Comprehensive Utilization of Platinum Metals, China)

Abstract ▼ AI-Helper

Abstract The improvement of overall performance of high-temperature materials is still a big challenge. By means of first-principles approach, in this work, we systematically investigate the effect of transition metals (TM=Mo and Re) on the strength and high-temperature thermodynamic properties of NbSi2 with C40 structure. The phonon dispersions, Debye temperature and heat capacity of NbSi2 with alloying elements are calculated in detail. We predict that alloying elements of Mo and Re are thermodynamically and dynamically stable. These alloying elements prefer to occupy the Si site in comparison to Nb site. We further find that the compression strength of NbSi2 with alloying element of Re is up to 15.3% in comparison to perfect NbSi2. Importantly, alloying elements at Si site result in brittle-to-ductile transition for NbSi2. The heat capacity of NbSi2 with alloying elements is slightly larger than that of NbSi2.

주제어

참고문헌 (41)

Ceram. Int. Lu 43 3424 2017 10.1016/j.ceramint.2016.11.190 Synthesis and mechanical properties of (Mo0.94Nb0.06)(Si0.97Al0.03)2？x vol% SiC composites fabricated via SHS-HP

상세보기
Mater. Sci. Eng. A. Kong 639 114 2015 10.1016/j.msea.2015.04.096 Effects of minor Si on microstructures and room temperature fracture toughness of niobium solid solution alloys

상세보기
Philos. Mag. A Cheng 90 2557 2010 10.1080/14786431003630827 Characterization of a new Nb-silicide (Nb11Si4) in Nb-Si binary systems

상세보기
Ceram. Int. Chen 42 11165 2016 10.1016/j.ceramint.2016.04.023 In situ reactive spark plasma sintering of WSi2/MoSi2 composites

상세보기
Mat. Sci. Eng. A Kashyap 559 74 2013 10.1016/j.msea.2012.08.027 Microstructure and mechanical properties of oxidation resistant suction cast Nb-Si-Al alloy

상세보기
Acta Mater. Hagihara 107 196 2016 10.1016/j.actamat.2016.01.040 Creep-deformation behavior of (Mo0.85Nb0.15)Si2 lamellar-structured C40/C11b two-phase crystals

상세보기
Mater. Des. Pan 108 13 2016 10.1016/j.matdes.2016.06.085 Influence of vacancy on structural and elastic properties of NbSi2 from first-principles calculations

상세보기
Mat. Sci. Eng. A Guan 663 98 2016 10.1016/j.msea.2016.03.110 Study of the fracture mechanism of NbSS/Nb5Si3 in situ composite: based on a mechanical characterization of interfacial strength

상세보기
Mat. Sci. Eng. A Chattopadhyay 456 358 2007 10.1016/j.msea.2006.12.023 Effect of Mo and Si on morphology and volume fraction of eutectic in Nb-Si-Mo alloys

상세보기
J. Alloy Compd. Xiong 604 211 2014 10.1016/j.jallcom.2014.03.136 Microstructures and room temperature fracture toughness of Nb/Nb5Si3 composites alloyed with W, Mo and W, Mo and W-Mo fabricated by spark Plasma sintering

상세보기
Mater. Des. Wei 46 1 2013 10.1016/j.matdes.2012.09.046 Microstructure and oxidation behavior of Nb-based multi-phase alloys

상세보기
Acta Mater. Nakano 48 3465 2000 10.1016/S1359-6454(00)00135-X Effect of substitutational elements on plastic deformation behaviour of NbSi2-based silicide single crystals with C40 structure

상세보기
J. Alloy Compd. Kim 364 186 2004 10.1016/S0925-8388(03)00495-X Effect of V addition on microstructure and mechanical property in the Nb-Si alloy system

상세보기
J. Alloy Compd. Tillard 584 385 2014 10.1016/j.jallcom.2013.09.078 The mixed intermetallic silicide Nb5-xTaxSi3 (0<x<5). Crystal and electronic structure

상세보기
Mater. Des. Pan 89 676 2016 10.1016/j.matdes.2015.10.028 Relationship between Si concentration and mechanical properties of Nb-Si compounds: a first-principles study

상세보기
Scr. Mater. Nakano 68 313 2013 10.1016/j.scriptamat.2012.10.053 Yield stress anomaly controlled by the phase stability in NbSi2 single crystals

상세보기
Scr. Mater. Todai 113 236 2016 10.1016/j.scriptamat.2015.11.004 Microstructure and fracture toughness in boron added NbSi2(C40)/MoSi2(C11b) duplex crystals

상세보기
Met Mater.-Int. Ko 15 399 2009 10.1007/s12540-009-0399-7 Pulsed Current Activated Combustion Synthesis and Consolidation of Ultrafine NbSi2 from Mechanically Activated Powders

상세보기
Adv. Powder Technol. Yazdani 25 1357 2014 10.1016/j.apt.2014.03.019 Formation mechanism of NbSi2-Al2O3 nanocomposite subject to mechanical alloying

상세보기
J. Alloy Compd. Paidar 607 48 2014 10.1016/j.jallcom.2014.04.025 Misfit analysis in lamellar microstructure in NbSi2/MoSi2 duplex crystals

상세보기
J. Alloy Compd. Xiong 486 330 2009 10.1016/j.jallcom.2009.06.136 Effects of Si, W and W-Mo on isothermal oxidation behaviors of Nb/Nb5Si3 in situ composites at high temperature

상세보기
Intermetallics Geng 15 69 2007 10.1016/j.intermet.2006.03.001 A study of the effects of Hf and Sn additions on the microstructure of Nbss/Nb5Si3 based in situ composites

상세보기
J. Mater. Sci. Varma 45 3931 2010 10.1007/s10853-010-4458-8 Microstructures and high temperature oxidation resistance of alloys from Nb-Cr-Si system

상세보기
Mater. Des. Lu 51 432 2013 10.1016/j.matdes.2013.04.033 Effect of silicon on the fracture toughness and oxidation behavior of hot pressed NbCr2 alloys

상세보기
Mat. Sci. Eng. A Kang 606 228 2014 10.1016/j.msea.2014.02.045 Enhanced mechanical properties of nanostructured WSi2-NbSi2 composite synthesized and sintered by high-frequency induction heating

상세보기
Acta Mater. Chu 44 3035 1996 10.1016/1359-6454(95)00442-4 Elastic properties of C40 transition metal disilicides

상세보기
J. Phys. Condens Mat. Segall 14 2717 2002 10.1088/0953-8984/14/11/301 First-principles simulation: ideas, illustrations and the CASTEP code

상세보기
Phys. Rev. B Vanderbilt 41 7892 1990 10.1103/PhysRevB.41.7892 Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

상세보기
Phys. Rev. B Perdew 45 13244 1992 10.1103/PhysRevB.45.13244 Accurate and simple analytic representation of the electron-gas correlation energy

상세보기
Phys. Rev. B Kaasbjerg 85 115317 2012 10.1103/PhysRevB.85.115317 Phonon-limited mobility in n-type single-layer MoS2 from first principles

상세보기
Proc. Phys. Soc. Sect. A Hill 65 349 1952 10.1088/0370-1298/65/5/307 The elastic behaviour of a crystalline aggregate

상세보기
Phys. Rev. B Shang 75 024302 2007 10.1103/PhysRevB.75.024302 First-principles calculations of phonon and thermodynamic properties in the boron-alkaline earth metal binary systems: b-ca, B-Sr, and B-Ba

상세보기
Acta Mater. Zhang 58 4012 2010 10.1016/j.actamat.2010.03.020 First-principles calculations of the elastic, phonon and thermodynamic properties of Al12Mg17

상세보기
Phys. Rev. B Ducher 83 104107 2011 10.1103/PhysRevB.83.104107 First-principles study of defect behavior in irradiated uranium monocarbide

상세보기
Acta Mater. Wang 52 2665 2004 10.1016/j.actamat.2004.02.014 Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations

상세보기
J. Phys. Chem. C. Pan 120 21762 2016 10.1021/acs.jpcc.6b06668 New Insight into the Effect of Alloying Elements on Elastic Behavior, Hardness, and Thermodynamic Properties of Ru2B3

상세보기
Intermetallics Papadimitriou 54 125 2014 10.1016/j.intermet.2014.05.020 Ab initio study of the intermetallics in Nb-Si binary system

상세보기
Mater. Des. Pan 86 259 2015 10.1016/j.matdes.2015.07.099 Vacancy induced brittle-to-ductile transition of Nb5Si3 alloy from first-principles

상세보기
Mat. Sci. Semicon Proc. Xu 30 636 2015 10.1016/j.mssp.2014.09.030 Investigations on the structural, electronic, elastic and thermodynamic properties of niobium silicide under high temperature and pressure

상세보기
Corros. Sci. Zhang 91 101 2015 10.1016/j.corsci.2014.11.009 Improvement in oxidation resistance of silicide coating on an Nb-Ti-Si based ultrahigh temperature alloy by second aluminizing treatment

상세보기
Philos Mag. Pugh 45 823 1954 10.1080/14786440808520496 Relations between the elastic moduli and the plastic properties of polycrystalline pure metals

내보내기 구분	파일저장 인쇄 메일전송
구성항목	기본정보 상세정보 관리번호, 논문명, 저널/프로시딩명, 저자 , 발행년, 권, 호, 시작페이지, 끝페이지, 발행기관 관리번호, 논문명, 대등논문명, 저자 , 저널/프로시딩명, 발행기관, 발행년, 발행언어, 권, 호, 시작페이지, 끝페이지, ISBN, ISSN, 주제분야, 키워드, 초록(한글), 초록(영문), 저자(소속기관)
저장형식	Text(ASCII format) Excel format RefWorks Direct Export RIS format (for Reference Manager, ProCite, EndNote), Scholar's Aids, Mendeley
메일정보	받는사람 (필수) @ 보내는사람 (선택) @ 제목 내용 KISTI 검색결과 이메일 서비스
안내	총 건의 자료가 검색되었습니다. 다운받으실 자료의 인덱스를 입력하세요. (1-10,000) 검색결과의 순서대로 최대 10,000건 까지 다운로드가 가능합니다. 데이타가 많을 경우 속도가 느려질 수 있습니다.(최대 2~3분 소요) 다운로드 파일은 UTF-8 형태로 저장됩니다. 파일의 내용이 제대로 보이지 않을실 때는 웹브라우저 상단의 보기 -> 인코딩 -> 자동선택 여부를 확인하십시오. ~ Text(ASCII format) Excel format

연합인증

Insight into the effect of Mo and Re on mechanical and thermodynamic properties of NbSi2 based silicide

Abstract ▼ AI-Helper

주제어

참고문헌 (41)

이 논문을 인용한 문헌

관련 콘텐츠

연관된 기능

AI-Helper ※ AI-Helper는 오픈소스 모델을 사용합니다.

선택된 텍스트