Araştırma Makalesi
BibTex RIS Kaynak Göster

Yıl 2022, Cilt: 25 Sayı: 3, 32 - 39, 01.09.2022

Hamit Yurtseven Özge Akay

https://doi.org/10.5541/ijot.1085553

Öz

Kaynakça

  • A.F. Goncharov, E. Gregoryanz, H.K. Mao, Z. Liu and R.J. Hemley, “Optical Evidence for a Nonmolecular Phase of Nitrogen above 150 GPa,” Phys.Rev.Lett., 85, 1262-1265, 2000.
  • M. I. Eremets, A. G. Gavriliuk, I. A. Trojan, D. A. Dzivenko and R. Boehler, “Single-bonded cubic form of nitrogen,” Nat. Mater., 3, 558-563, 2004.
  • J.Belak,R.Lesar and R.D. Etters, “Calculated thermodynamic properties and phase transitions of solid N2 at temperatures 0≤T≤300 K and pressures 0≤P≤100 GPa,” J.Chem. Phys., 92, 5430-5441,1990. M. I. Eremets, A. G. Gavriliuk,N.R. Serebnianaya, I. A. Trojan, D. A. Dzivenko,R. Boehler, H.K. Mao and R.J. Hemley, “Structural transformation of molecular nitrogen to a single-bonded atomic state at high pressures,” J.Chem. Phys., 121, 11296-11300, 2004.
  • E.Gregoryanz,A.F. Goncharov,R.J. Hemley, H.K. Mao,“Raman spectra and lattice dynamics of cubic gauche nitrogen,” Phys.Rev. B,64, 0520123-1-4, 2001.
  • R.Caracas and R.J. Hewley, “New structures of dense nitrogen: pathways to the polymeric phase,” Chem Phys. Lett., 442, 65-70,2007.
  • C.Mailhiot,L.H. Yang and A.K. McMahan, “Polymeric nitrogen,”Phys.Rev. B, 46 ,14419-14435,1992.
  • L.Mitas and R.M. Martin, “Quantum Monte Carlo of nitrogen: Atom, dimer, atomic, and molecular solids,” Phys. Rev. Lett., 72, 2438-2441,1994.
  • R.M. Martin and R.J. Needs, “Theoretical study of the molecular-to-nonmolecular transformation of nitrogen at high pressures,” Phys. Rev. B, 34,5082-5092,1986.
  • E. Gregoryanz,A.F. Goncharov, R.J. Hemley, H.K. Mao, M. Somayazulu and G. Shen, Raman, “infrared, and x-ray evidence for new phases of nitrogen at high pressures and temperatures,” Phys. Rev. B ,66, 224108-1-5, 2002.
  • M. I. Eremets, R.J. Hemley, H.K. Mao and E. Gregoryanz, “Semiconducting non-molecular nitrogen up to 240 GPa and its low-pressure stability,” Nature, 411, 170-174, 2001.
  • M. I. Eremets, A. G. Gavriliuk and I. A. Trojan, “Single –crystalline polymeric nitrogen,” Appl.Phys.Lett., 90 ,171904-1-4,2007.
  • T.W. Barbee III, “Metastability of atomic phases of nitrogen,” Phys.Rev. B, 48, 9327-9330, 1993.
  • E.Gregoryanz, A.F. Goncharov, C.Sanloup, M.Somayazulu, H.K. Mao and R.J. Hemley, “High P-T transformations of nitrogen to 170 GPa,”, J. Chem. Phys., 126, 184505-1-5, 2007.
  • M.Ross and F.Rogers, “Polymerization, shock cooling, and the high-pressure phase diagram of nitrogen,”, Phys. Rev. B, 74, 024103-1-6, 2006.
  • Y. Ma, A.R. Oganov, Z.Li, Y. Xie and J. Kotakaski, “Novel High Pressure Structures of Polymeric Nitrogen,” Phys. Rev. Lett., 102, 065501-1-4, 2009.
  • L.N. Yakub, “Phase transition line of solid molecular nitrogen into the cubic gauche-polymeric phase,” Low Temp. Phys., 37, 431-434, 2011.
  • R.Caracas, “Raman spectra and lattice dynamics of cubic gauche nitrogen,” J. Chem. Phys., 127, 144510-1-7, 2007.
  • O.Akay and H. Yurtseven, “Investigation of vibrational, elastic and dielectric properties of cubic gauche nitrogen (cg-N)”, Optik, 236 ,166481-1-9, 2021.
  • H.Yurtseven,O.Tiryaki and O.Tari , “Pippard relations for cubic gauche nitrogen,”Anadolu Univ. J. Sci. Tech.Appl. Sci. Eng., 17, 741-746, 2016.
  • X.Q.Chen, C. L. Fu, and R. Podloucky , “Bonding and strength of solid nitrogen in the cubic gauche (cg-N) structure”, Phys. Rev. B, 77, 064103-1-6, 2008 .
  • Yakub, L.N, “Phase transition line of solid molecular nitrogen into CG-polymeric phase.”, Fizika Nizkikh Temperatur, 37(5), 543-546, 2011.
  • Hirshberg, B., Gerber, R. & Krylov, A. “Calculations predict a stable molecular crystal of N8”. Nature Chem., 6, 52–56 , 2014.
  • N. Capel, B. Devang, and M. Sergei, "A Comparative Density Functional Theory and Density Functional Tight Binding Study of Phases of Nitrogen Including a High Energy Density Material N8" Computation 3, 574-585, 2015.
  • D. Plasienka and R. Martonak, “Transformation pathways in high-pressure solid nitrogen: From molecular N2 to polymeric cg-N” , J. Chem. Phys. ,142, 094505-1-10, 2015.
  • T.Yu, W. P. Lai, Y. Z. Liu, B. Wu, Z. X. Ge, J. H. Bu, “The outlook for platonic and cubic gauche nitrogens”, Computational Mater. Sci. 123, 31-39, 2016.
  • G. Weck, F. Datchi, G. Garbarino, S. Ninet, J.A. Queyroux, T. Plisson, M. Mezouar, and P. Loubeyre, “Melting Curve and Liquid Structure of Nitrogen Probed by X-ray Diffraction to 120 GPa”, Phys. Rev. Lett. 119 , 235701-1-5, 2017.
  • S.V. Bondarchuck and B. F. Minaev, “Super high-energy density single-bonded trigonal nitrogen allotrope—a chemical twin of the cubic gauche form of nitrogen” Phys. Chem. Chem. Phys., 19, 6698-6706, 2017.
  • L.Lei, Q.Q. Tang, F. Zhang, S. Liu, B.B. Wu, C.Y. Zhou, “Evidence for a New Extended Solid of Nitrogen”, Chin. Phys. Lett.,37, 068101-1-4, 2020.
  • Y. Yao and A. O. Adeniyi, “Solid nitrogen and nitrogen-rich compounds as high energy density materials”, Phys. Status Solidi B,258, 2000588-1-15, 2021.
  • E.S. Yakub and L.N. Yakub, “Polymorphic transitions in highly compressed molecular nitrogen. Application of Mayer group expansion for solids” Low. Temp. Phys., 48, 165-169, 2022.
  • P.Hudon, I.H. Jung and D.R. Baker, “Melting of β-quartz up to 2.0 GPa and thermodynamic optimization of the silica liquidus up to 6.0 GPa”, Phys. Earth and Planetary Interiors 130, 159-174, 2002.
  • G.D.Mukherjee and R.Boehler, “High-pressure melting curve of nitrogen and the liquid-liquid phase transition,” Phys.Rev.Lett., 99, 225701-1-4, 2007.

Calculation of the Thermodynamic Quantities for Cubic Gauche Nitrogen (cg-N)

Yıl 2022, Cilt: 25 Sayı: 3, 32 - 39, 01.09.2022

Hamit Yurtseven Özge Akay

https://doi.org/10.5541/ijot.1085553

Öz

This work aims to investigate the thermodynamic properties of the cubic gauge nitrogen (cg-N) by calculating the relevant thermodynamic quantities as a functions of temperature and pressure. The thermodynamic quantities of volume (V), thermal expansion (αp), isothermal compressibility (κT), bulk modulus(B), and the heat capacity (Cp) are calculated as a function of temperature at constants pressures (0, 35, 125, 250 GPa) for the cg-N structure. Also, the pressure dependences of V, κT, αp, Cp and γ (macroscopic Grüneisen parameter) are predicted at T= 295 K for this structure. This calculation is caried out by the thermodynamic relations using some literature data. From our calculations, we find that the κT, αp and also B exhibit anomalous behavior as the temperature lowers below about 100 K at constant pressures studied. This is an indication that cg-N transforms to a solid phase at low temperatures (below about 100 K). Experimental measurements can examine this prediction when available in the literature for the cg-N phase. Also, our predictions of the κT, αp, Cp and γ at various pressures (T= 295 K) can be examined experimentally for the cg-N phase. This calculation method can be applied to some other structures.

Anahtar Kelimeler

Thermodynamic quantities cubic gauche nitrogen macroscopic Grüneisen parameter.

Kaynakça

  • A.F. Goncharov, E. Gregoryanz, H.K. Mao, Z. Liu and R.J. Hemley, “Optical Evidence for a Nonmolecular Phase of Nitrogen above 150 GPa,” Phys.Rev.Lett., 85, 1262-1265, 2000.
  • M. I. Eremets, A. G. Gavriliuk, I. A. Trojan, D. A. Dzivenko and R. Boehler, “Single-bonded cubic form of nitrogen,” Nat. Mater., 3, 558-563, 2004.
  • J.Belak,R.Lesar and R.D. Etters, “Calculated thermodynamic properties and phase transitions of solid N2 at temperatures 0≤T≤300 K and pressures 0≤P≤100 GPa,” J.Chem. Phys., 92, 5430-5441,1990. M. I. Eremets, A. G. Gavriliuk,N.R. Serebnianaya, I. A. Trojan, D. A. Dzivenko,R. Boehler, H.K. Mao and R.J. Hemley, “Structural transformation of molecular nitrogen to a single-bonded atomic state at high pressures,” J.Chem. Phys., 121, 11296-11300, 2004.
  • E.Gregoryanz,A.F. Goncharov,R.J. Hemley, H.K. Mao,“Raman spectra and lattice dynamics of cubic gauche nitrogen,” Phys.Rev. B,64, 0520123-1-4, 2001.
  • R.Caracas and R.J. Hewley, “New structures of dense nitrogen: pathways to the polymeric phase,” Chem Phys. Lett., 442, 65-70,2007.
  • C.Mailhiot,L.H. Yang and A.K. McMahan, “Polymeric nitrogen,”Phys.Rev. B, 46 ,14419-14435,1992.
  • L.Mitas and R.M. Martin, “Quantum Monte Carlo of nitrogen: Atom, dimer, atomic, and molecular solids,” Phys. Rev. Lett., 72, 2438-2441,1994.
  • R.M. Martin and R.J. Needs, “Theoretical study of the molecular-to-nonmolecular transformation of nitrogen at high pressures,” Phys. Rev. B, 34,5082-5092,1986.
  • E. Gregoryanz,A.F. Goncharov, R.J. Hemley, H.K. Mao, M. Somayazulu and G. Shen, Raman, “infrared, and x-ray evidence for new phases of nitrogen at high pressures and temperatures,” Phys. Rev. B ,66, 224108-1-5, 2002.
  • M. I. Eremets, R.J. Hemley, H.K. Mao and E. Gregoryanz, “Semiconducting non-molecular nitrogen up to 240 GPa and its low-pressure stability,” Nature, 411, 170-174, 2001.
  • M. I. Eremets, A. G. Gavriliuk and I. A. Trojan, “Single –crystalline polymeric nitrogen,” Appl.Phys.Lett., 90 ,171904-1-4,2007.
  • T.W. Barbee III, “Metastability of atomic phases of nitrogen,” Phys.Rev. B, 48, 9327-9330, 1993.
  • E.Gregoryanz, A.F. Goncharov, C.Sanloup, M.Somayazulu, H.K. Mao and R.J. Hemley, “High P-T transformations of nitrogen to 170 GPa,”, J. Chem. Phys., 126, 184505-1-5, 2007.
  • M.Ross and F.Rogers, “Polymerization, shock cooling, and the high-pressure phase diagram of nitrogen,”, Phys. Rev. B, 74, 024103-1-6, 2006.
  • Y. Ma, A.R. Oganov, Z.Li, Y. Xie and J. Kotakaski, “Novel High Pressure Structures of Polymeric Nitrogen,” Phys. Rev. Lett., 102, 065501-1-4, 2009.
  • L.N. Yakub, “Phase transition line of solid molecular nitrogen into the cubic gauche-polymeric phase,” Low Temp. Phys., 37, 431-434, 2011.
  • R.Caracas, “Raman spectra and lattice dynamics of cubic gauche nitrogen,” J. Chem. Phys., 127, 144510-1-7, 2007.
  • O.Akay and H. Yurtseven, “Investigation of vibrational, elastic and dielectric properties of cubic gauche nitrogen (cg-N)”, Optik, 236 ,166481-1-9, 2021.
  • H.Yurtseven,O.Tiryaki and O.Tari , “Pippard relations for cubic gauche nitrogen,”Anadolu Univ. J. Sci. Tech.Appl. Sci. Eng., 17, 741-746, 2016.
  • X.Q.Chen, C. L. Fu, and R. Podloucky , “Bonding and strength of solid nitrogen in the cubic gauche (cg-N) structure”, Phys. Rev. B, 77, 064103-1-6, 2008 .
  • Yakub, L.N, “Phase transition line of solid molecular nitrogen into CG-polymeric phase.”, Fizika Nizkikh Temperatur, 37(5), 543-546, 2011.
  • Hirshberg, B., Gerber, R. & Krylov, A. “Calculations predict a stable molecular crystal of N8”. Nature Chem., 6, 52–56 , 2014.
  • N. Capel, B. Devang, and M. Sergei, "A Comparative Density Functional Theory and Density Functional Tight Binding Study of Phases of Nitrogen Including a High Energy Density Material N8" Computation 3, 574-585, 2015.
  • D. Plasienka and R. Martonak, “Transformation pathways in high-pressure solid nitrogen: From molecular N2 to polymeric cg-N” , J. Chem. Phys. ,142, 094505-1-10, 2015.
  • T.Yu, W. P. Lai, Y. Z. Liu, B. Wu, Z. X. Ge, J. H. Bu, “The outlook for platonic and cubic gauche nitrogens”, Computational Mater. Sci. 123, 31-39, 2016.
  • G. Weck, F. Datchi, G. Garbarino, S. Ninet, J.A. Queyroux, T. Plisson, M. Mezouar, and P. Loubeyre, “Melting Curve and Liquid Structure of Nitrogen Probed by X-ray Diffraction to 120 GPa”, Phys. Rev. Lett. 119 , 235701-1-5, 2017.
  • S.V. Bondarchuck and B. F. Minaev, “Super high-energy density single-bonded trigonal nitrogen allotrope—a chemical twin of the cubic gauche form of nitrogen” Phys. Chem. Chem. Phys., 19, 6698-6706, 2017.
  • L.Lei, Q.Q. Tang, F. Zhang, S. Liu, B.B. Wu, C.Y. Zhou, “Evidence for a New Extended Solid of Nitrogen”, Chin. Phys. Lett.,37, 068101-1-4, 2020.
  • Y. Yao and A. O. Adeniyi, “Solid nitrogen and nitrogen-rich compounds as high energy density materials”, Phys. Status Solidi B,258, 2000588-1-15, 2021.
  • E.S. Yakub and L.N. Yakub, “Polymorphic transitions in highly compressed molecular nitrogen. Application of Mayer group expansion for solids” Low. Temp. Phys., 48, 165-169, 2022.
  • P.Hudon, I.H. Jung and D.R. Baker, “Melting of β-quartz up to 2.0 GPa and thermodynamic optimization of the silica liquidus up to 6.0 GPa”, Phys. Earth and Planetary Interiors 130, 159-174, 2002.
  • G.D.Mukherjee and R.Boehler, “High-pressure melting curve of nitrogen and the liquid-liquid phase transition,” Phys.Rev.Lett., 99, 225701-1-4, 2007.
Toplam 32 adet kaynakça vardır.

Ayrıntılar

Birincil Dil İngilizce
Konular Termodinamik ve İstatistiksel Fizik
Bölüm Araştırma Makaleleri
Yazarlar

Hamit Yurtseven

Özge Akay Bu kişi benim 0000-0002-7073-4785

Yayımlanma Tarihi 1 Eylül 2022
Yayımlandığı Sayı Yıl 2022 Cilt: 25 Sayı: 3

Kaynak Göster

APA Yurtseven, H., & Akay, Ö. (2022). Calculation of the Thermodynamic Quantities for Cubic Gauche Nitrogen (cg-N). International Journal of Thermodynamics, 25(3), 32-39. https://doi.org/10.5541/ijot.1085553
AMA Yurtseven H, Akay Ö. Calculation of the Thermodynamic Quantities for Cubic Gauche Nitrogen (cg-N). International Journal of Thermodynamics. Eylül 2022;25(3):32-39. doi:10.5541/ijot.1085553
Chicago Yurtseven, Hamit, ve Özge Akay. “Calculation of the Thermodynamic Quantities for Cubic Gauche Nitrogen (cg-N)”. International Journal of Thermodynamics 25, sy. 3 (Eylül 2022): 32-39. https://doi.org/10.5541/ijot.1085553.
EndNote Yurtseven H, Akay Ö (01 Eylül 2022) Calculation of the Thermodynamic Quantities for Cubic Gauche Nitrogen (cg-N). International Journal of Thermodynamics 25 3 32–39.
IEEE H. Yurtseven ve Ö. Akay, “Calculation of the Thermodynamic Quantities for Cubic Gauche Nitrogen (cg-N)”, International Journal of Thermodynamics, c. 25, sy. 3, ss. 32–39, 2022, doi: 10.5541/ijot.1085553.
ISNAD Yurtseven, Hamit - Akay, Özge. “Calculation of the Thermodynamic Quantities for Cubic Gauche Nitrogen (cg-N)”. International Journal of Thermodynamics 25/3 (Eylül 2022), 32-39. https://doi.org/10.5541/ijot.1085553.
JAMA Yurtseven H, Akay Ö. Calculation of the Thermodynamic Quantities for Cubic Gauche Nitrogen (cg-N). International Journal of Thermodynamics. 2022;25:32–39.
MLA Yurtseven, Hamit ve Özge Akay. “Calculation of the Thermodynamic Quantities for Cubic Gauche Nitrogen (cg-N)”. International Journal of Thermodynamics, c. 25, sy. 3, 2022, ss. 32-39, doi:10.5541/ijot.1085553.
Vancouver Yurtseven H, Akay Ö. Calculation of the Thermodynamic Quantities for Cubic Gauche Nitrogen (cg-N). International Journal of Thermodynamics. 2022;25(3):32-9.
 Kapak Resmi İndir