Pub­lika­tio­nen in Fachjour­nalen (peer reviewed)

  • Iden­ti­fi­ca­tion of a ternary μ-​phase in the Co-​Ti-​W sys­tem — an advanced cor­rel­a­tive thin-​film and bulk com­bi­na­to­r­ial mate­ri­als inves­ti­ga­tion
    D. Nau­joks, Y. M. Eggeler, P. Hal­lensleben, J. Fren­zel, S. G. Fries, M. Palumbo, J. Koß­mann, T. Ham­mer­schmidt, J. Pfetzing-​Micklich, G. Eggeler, E. Spiecker, R. Drautz, A. Lud­wig.
    Acta Mate­ri­alia, 138, 100110, (2017)

  • Metal­lic Nickel Phos­pho­rus trisul­fide ultra­thin nanosheets as highly effi­cient and sta­ble elec­tro­cat­a­lyst for Oxy­gen evo­lu­tion reac­tion
    B. Konkena , J. Masa, A. Botz, W. Xia, J. Koß­mann, R. Drautz, M. Muh­ler, W. Schuh­mann
    ACS Catal­y­sis, 7, 229237, (2017)

  • The role of local chem­i­cal com­po­si­tion for TCP phase pre­cip­i­ta­tion in Ni-​base and Co-​base super­al­loys
    T. Ham­mer­schmidt, J. Koß­mann, C. Zenk, S. Neumeier, M. Göken, I. Lopez-​Galilea, L. Mujica, S. Huth, A. Kostka, W. Theisen, R. Drautz.
    Super­al­loys 2016 (2016)
  • Crystal-​structure analy­sis with moments of the density-​of-​states: Appli­ca­tion to inter­metal­lic topo­log­i­cally close-​packed phases
    T. Ham­mer­schmidt, A. Ladines, J. Koß­mann, R. Drautz
    Crys­tals 6, 18 (2016)

  • The ther­mal sta­bil­ity of topo­log­i­cally close-​packed phases in the sin­gle crys­tal Ni-​base super­al­loy ERBO/​1
    I. Lopez-​Galilea, J. Koß­mann, A. Kostka, R. Drautz, L. Mujica Ron­cery, T. Ham­mer­schmidt, S. Huth, W. Theisen
    J. Mater. Sci. 51, 26532664 (2016)

  • Microseg­re­ga­tion and pre­cip­i­tates of an as-​cast Co-​base super­al­loy — microstruc­tural char­ac­ter­i­za­tion and phase-​stability mod­el­ling
    J. Koß­mann, C.H. Zenk, I. Lopez-​Galilea, S. Neumeier, A. Kostka, S. Huth, W. Theisen, M. Göken, R. Drautz, T. Ham­mer­schmidt
    J. Mater. Sci. 50, 63296338 (2015)

  • Sol­u­bil­ity and order­ing of Ti, Ta, Mo, and W on the Al sub­lat­tice in L12–Co3Al
    J. Koß­mann, T. Ham­mer­schmidt, S. Maisel, S. Müller, R. Drautz
    Inter­metallics 64, 4450 (2015)

  • Includ­ing the effects of pres­sure and stress in ther­mo­dy­namic func­tions
    T. Ham­mer­schmidt, I.A. Abrikosov, D. Alfè, S.G. Fries, L. Höl­gund, M.H.G. Jacobs, J. Koß­mann, X.-G. Lu, G. Paul
    Phys. Sta­tus Solidi B 25, 8196 (2014)

  • Ana­lytic mol­e­c­u­lar Hes­s­ian cal­cu­la­tions for CC2 and MP2 com­bined with the res­o­lu­tion of iden­tity approx­i­ma­tion
    D. Friese, C. Hät­tig, J. Koß­mann
    J. Chem. The­ory Com­put. 9, 14691480 (2013)

  • Inves­ti­ga­tion of inter­sti­tial Hydro­gen and related defects in ZnO
    J. Koß­mann, C. Hät­tig
    Phys. Chem. Chem. Phys. 14, 1639216399 (2012)

  • Aux­il­iary basis sets for density-​fitted cor­re­lated wave­func­tion cal­cu­la­tions: Weighted core-​valence and ECP basis sets for post-​d ele­ments
    C. Hät­tig, G. Schmitz, J. Koß­mann
    Phys. Chem. Chem. Phys. 14 , 65426548 (2012)

  • Pre­dic­tion of vibra­tional fre­quen­cies of pos­si­ble inter­me­di­ates and side prod­ucts of the methanol syn­the­sis on ZnO(0001) by ab ini­tio Cal­cu­la­tions
    J. Koß­mann, G. Roßmüller, C. Hät­tig
    J. Chem. Phys. 136, 034706 (2012)

  • A den­sity func­tional study of the methanol syn­the­sis at an Oxy­gen vacancy on the polar ZnO(0001) sur­face
    G. Ross­müller, V. Klein­schmidt, J. Koss­mann, C. Hät­tig
    J. Phys. Chem. C 113, 14181425 (2009)

Dis­ser­ta­tion

Kon­ferenzbeiträge und Vorträge

  • Com­par­i­son of Co– and Ni-​based super­al­loys with density-​functional therory
    J. Koß­mann, T. Ham­mer­schmidt, R. Drautz
    16.07.2015
    TU Delft, Delft, The Nether­lands
    (Vor­trag auf Einladung)

  • Topo­log­i­cally close-​packed phases in Co-​based super­al­loys
    Thomas Ham­mer­schmidt, Jörg Koß­mann, Ralf Drautz
    23.06.2015
    NIST, Gaithers­burg, Mary­land, USA
    (Vor­trag auf Einladung)

  • Using the Al-​Ni binary sys­tem to explore the poten­tial­i­ties of first-​principle Cal­cu­la­tions
    S. Tum­minello, M. Palumbo, J. Koß­mann, T. Ham­mer­schmidt, R. Drautz, S. Som­ma­dossi, N. Dupin, S.G. Fries
    01.06.2015
    CAL­PHAD CLIV, Loano, Italy
    (Vor­trag)

  • Com­par­i­son of Co-​X and Ni-​X sys­tems with den­sity func­tional the­ory and bond-​order poten­tials
    J. Koß­mann, A. Ladines, T. Ham­mer­schmidt, R. Drautz
    18.03.2015
    DPG spring meet­ing 2015, Berlin, Ger­many
    (Vor­trag)

  • TCP pre­cip­i­tates in Co-​based super­al­loys stud­ied with atom­istic cal­cu­la­tions
    J. Koß­mann, T. Ham­mer­schmidt, and R. Drautz
    17.09.2014
    Mod­el­ling and sim­u­la­tion of super­al­loys work­shop 2014, Bochum, Ger­many
    (Vor­trag und Poster)

  • Mod­el­ling of phase sta­bil­ity with den­sity func­tional the­ory
    J. Koß­mann, T. Ham­mer­schmidt, and R. Drautz
    13.09.2014
    Mod­el­ling and sim­u­la­tion of super­al­loys work­shop 2014, Bochum, Ger­many
    (Vor­trag und Übungen)

  • A sys­tem­atic DFT-​based analy­sis of binary phase dia­grams in the Bragg-​Williams approx­i­ma­tion
    M. Palumbo, J. Koß­mann, G. Cac­cia­mani, S. Cac­cia­mani, S. Fries, T. Ham­mer­schmidt
    07.09.2014
    TOFA 2014, Brno, Czech Repub­lik
    (Vor­trag)

  • First-​principles-​based cal­cu­la­tions of Al-​base phase dia­grams
    J. Koß­mann, M. Palumbo, T. Ham­mer­schmidt, R. Drautz, and S.G. Fries
    28.07.2014
    Sino-​German Coop­er­a­tion Group Bilat­eral Sym­po­sium 2014, Bochum, Ger­many
    (Vor­trag)

  • From high-​throughput DFT cal­cu­la­tions to ther­mo­dy­namic func­tions„
    T. Ham­mer­schmidt, J. Koß­mann, A. Bialon, M. Palumbo, S. Fries, and R. Drautz
    26.06.2014
    1st Inter­na­tional Work­shop on Soft­ware Solu­tions for ICME, Rolduc, The Nether­lands
    (Vor­trag)

  • Atom­istic Inves­ti­ga­tions of Co-​based super­al­loys: From den­sity func­tional the­ory to struc­ture maps
    J. Koß­mann, T. Ham­mer­schmidt, and R. Drautz
    13.05.2014
    Euro­Su­per­al­loys 2014, Giens, France
    (Poster)

  • Com­par­i­son of Ni– and Co-​base super­al­loys by means of elec­tronic struc­ture and atomic size — project pro­ceed­ings
    J. Koß­mann, T. Ham­mer­schmidt, and R. Drautz
    06.05.2014
    5th Inter­ac­tion Week of SFB/​TR 103, Erlan­gen, Ger­many
    (Vor­trag)

  • Sub­lat­tice sol­u­bil­ity of tran­si­tion met­als in L12 phases in Co-​based super­al­loys„
    Jörg Koß­mann, Thomas Ham­mer­schmidt, Sascha Maisel, Ste­fan Müller, Ralf Drautz
    02.04.2014
    DPG sprin meet­ing 2014, Dres­den, Ger­many
    (Vor­trag)

  • TCP phase sta­bil­ity in Co-​based super­al­loys“
    Jörg Koß­mann, Thomas Ham­mer­schmidt, Ralf Drautz
    17.02.2014
    TMS 2014, San Diego, CA, USA
    (Vor­trag)

  • Sub­lat­tice sol­u­bil­ity in Co-​based super­al­loys: Deal­ing with dis­or­der in atom­istic cal­cu­la­tions„
    Jörg Koß­mann, Thomas Ham­mer­schmidt, Ralf Drautz
    10.12.2013
    4th Inter­ac­tion Week of SFB/​TR 103, Bochum, Ger­many
    (Vor­trag)

  • Sta­bil­ity of TCP phases in Co-​based super­al­loys“
    Jörg Koß­mann, Thomas Ham­mer­schmidt, Ralf Drautz
    26.09.201329.9.2013
    49th Sym­po­sium on The­o­ret­i­cal Chem­istry 2013, Erlan­gen, Ger­many
    (Vor­trag)

  • Deal­ing with dis­or­der in peri­odic ab ini­tio cal­cu­la­tions„
    Jörg Koß­mann, Abed Breidi, Suzana Fries, Thomas Ham­mer­schmidt, Ralf Drautz
    11.11.2013
    ICAMS Advanced Dis­cus­sions 2013, Bochum, Ger­many
    (Vor­trag)

  • Atom­istic Inves­ti­ga­tion of Co-​based Super­al­loys — New Insights by DFT and Struc­ture Maps„
    Jörg Koß­mann, Ralf Drautz, Thomas Ham­mer­schmidt
    05.09.2013
    ICAMS, Sci­en­tific Retreat 2013, Soest, Ger­many
    (Vor­trag)

  • Sta­bil­ity of TCP phases in Co-​based super­al­loys: Results from ab intio and empir­i­cal struc­ture maps„
    Jörg Koß­mann, Thomas Ham­mer­schmidt, Ralf Drautz
    23.07.2013
    Inter­na­tional work­shop on advanced Co-​based super­al­loys, Pom­mers­felden, Ger­many
    (Vor­trag)

  • A com­bined DFT and Com­pound Energy For­mal­ism study of phase sta­bil­ity in the Co-​W sys­tem“
    J. Koß­mann, M. Palumbo, A. Breidi, S.G. Fries, T. Ham­mer­schmidt and R. Drautz
    26.05.201331.05.2013
    CAL­PHAD meet­ing 2013, San Sebas­t­ian, Spain
    (Poster)

  • Com­par­i­son of Ni– and Co-​based super­al­loys by means of elec­tronic struc­ture and atomic size„
    Jörg Koß­mann, Thomas Ham­mer­schmidt, Ralf Drautz
    15.05.2013
    3rd Inter­ac­tion Week of SFB/​TR 103, Erlan­gen, Ger­many
    (Vor­trag und Poster)

  • Sta­bil­ity of TCP phases in Co-​based super­al­loys: Com­par­i­son of ab ini­tio results with struc­ture maps„
    Jörg Koß­mann, Thomas Ham­mer­schmidt, Ralf Drautz
    13.03.2013
    DPG spring meet­ing 2013, Regens­burg, Ger­many
    (Vor­trag)

  • Com­par­i­son of Ni– and Co-​based super­al­loys by means of elec­tronic struc­ture and atomic size“
    Jörg Koß­mann, Thomas Ham­mer­schmidt, Ralf Drautz
    22.02.2013
    Mini-​Symposium, Work­shop on The­o­ret­i­cal Chem­istry, Mari­ap­farr, Aus­tria
    (Vor­trag als ein­ge­ladener Redner)

  • Inves­ti­ga­tion of Defects in ZnO Bulk by Embed­ded Clus­ter Cal­cu­la­tions“
    Jörg Koß­mann and Christof Hät­tig
    28.06.2012
    TC Sem­i­nar, Mul­liken Cen­ter for The­o­ret­i­cal Chem­istry, Bonn, Ger­many
    (Vor­trag als ein­ge­ladener Red­ner)

    Hin­weis: Einige Vorträge vor 2011 sind nicht in dieser Liste enthalten

  • Inves­ti­ga­tion of Defects in ZnO Bulk by Embed­ded Clus­ter Cal­cu­la­tions“
    Jörg Koß­mann
    20.09.2011
    Work­shop of the grad­u­ate col­legue of the SFB 558, Klauken­hof, Lennestadt-​Burbecke, Ger­many
    (Vor­trag)

  • Cal­cu­la­tion of vibra­tional fre­quen­cies of adatoms and adsor­bates on ZnO sur­faces and in ZnO bulk„
    Jörg Koß­mann, Guido Roßmüller, Christof Hät­tig
    092010
    46th Sym­po­sium on The­o­ret­i­cal Chem­istry, Ramsau,Austria
    (Poster)

  • Cal­cu­la­tion of vibra­tional fre­quen­cies of adatoms and adsor­bates on the polar O-​ZnO sur­face„
    Jörg Koß­mann, Guido Roßmüller, Christof Hät­tig
    092008
    44th Sym­po­sium on The­o­ret­i­cal Chem­istry, Ramsau,Austria
    (Poster)

  • Embed­ded Clus­ter Cal­cu­la­tions for OH-​stretch fre­quen­cies on the O-​ZnO sur­face„
    Jörg Koß­mann and Christof Hät­tig
    28.10.2007
    Joint sym­po­sium of SFB 546 and SFB 558, Erkener, Ger­many
    (Poster)

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© Jörg Koßmann