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| 1 | Phonon broadening in high entropy alloys显示文摘Refractory high entropy alloys feature outstanding properties making them a promising materials class for next-generation hightemperature applications.At high temperatures,materials properties are strongly affected by lattice vibrations(phonons).Phonons critically influence thermal stability,thermodynamic and elastic properties,as well as thermal conductivity.In contrast to perfect crystals and ordered alloys,the inherently present mass and force constant fluctuations in multi-component random alloys(high entropy alloys)can induce significant phonon scattering and broadening.Despite their importance,phonon scattering and broadening have so far only scarcely been investigated for high entropy alloys.We tackle this challenge from a theoretical perspective and employ ab initio calculations to systematically study the impact of force constant and mass fluctuations on the phonon spectral functions of 12 body-centered cubic random alloys,from binaries up to 5-component high entropy alloys,addressing the key question of how chemical complexity impacts phonons.We find that it is crucial to include both mass and force constant fluctuations.If one or the other is neglected,qualitatively wrong results can be obtained such as artificial phonon band gaps.We analyze how the results obtained for the phonons translate into thermodynamically integrated quantities,specifically the vibrational entropy.Changes in the vibrational entropy with increasing the number of elements can be as large as changes in the configurational entropy and are thus important for phase stability considerations.The set of studied alloys includes MoTa,MoTaNb,MoTaNbW,MoTaNbWV,VW,VWNb,VWTa,VWNbTa,VTaNbTi,VWNbTaTi,HfZrNb,HfMoTaTiZr. | Fritz Kormann Yuji Ikeda Blazej Grabowski Marcel H.F.Sluiter | 2017 | npj Computational Materials2017，，1： | 2 |
| 2 | Scavenging of hydroxyl radicals produced in the sonolysis of water显示文摘 | Henglein A Kormann C | 1985 | Int J Radiat Biol1985，48，2： | 1 |
| 3 | Rubin, risks of the passport single signon protocol显示文摘 | Kormann D P Aviel D | 2000 | Computer Networks2000，33，： | 1 |
| 4 | MR fluid with nano-sized magnetic particles显示文摘 | KORMANN C LAUN H M RICHER H J | 1996 | International Journal of Mo- dern Physiee B1996，10，： | 1 |
| 5 | Preparation and characterization of quantum-size titanium dioxide显示文摘 | KORMANN C BAHNEMANN D W HOFFMANN M R | 1988 | Journal of Physical Chemistry1988，92，： | 1 |
| 6 | Gas phase catalysis by metal nanopartieles in nanoporous alumina membranes显示文摘 | KORMANN H P SCHMID G PELZER K | 2004 | Z Anorg Allg2004，630，12： | 1 |
| 7 | Photolysis of chloroform and other organic molecules in aqueous TiO2 suspensions显示文摘 | KORMANN C BAHNEMANN D W HOFFMANN M R | | 0，，： | 1 |
| 8 | Preparation and characterization of quantum size titanium dioxide显示文摘 | KORMANN C BAHNEMANN D W HOFFMANN M R | 1988 | Phys Chem1988，92，： | 1 |
| 9 | Near-and mid-infrared laser-optical sensors for gasanalysis显示文摘 | Werle Peter Slemr Franz Karl Kormann Robert | 2002 | Optics and Lasers in Engineering2002，37，： | 1 |
| 10 | Long-term endocardial ventricular pacing through bioprosthetic tricuspid valves 显示文摘 | Medeiros P Kormann D Pachon J | 1993 | PACE1993，16，： | 1 |
| 11 | G protein-coupled receptor polymorphisms are associated with asthma in a large German population显示文摘 | Kormann MS Carr D Klopp N | 2005 | Am J Respir Crit Care Med2005，171，： | 1 |
| 12 | Preparation and characterization of quantum-sizetitanium dioxide显示文摘 | Bahnemann D W Hoffmann M R | 1988 | J Phys Chem1988，92，： | 1 |
| 13 | 显示文摘 | Kormann C Bahnemann D W Hoffmann M R | 1991 | Environ Sci Technol1991，25，： | 1 |
| 14 | Application of a multi-laser tunable diode laser absorption spectrometer for atmospheric trace gas measurements at sub-ppbv levels 显示文摘 | Kormann R Fischer H Gurk C | 2002 | Spectrochimica Acta Part A2002，58，11： | 1 |
| 15 | Duplex and color Doppler ultrasound in the differential diagnosis of choroidal tumors显示文摘 | Wolff-Korman PG Kormann BA Hasenfratz GC | | 0，，： | 1 |
| 16 | Scavenger of OH radicals produced in the sonolysis of water显示文摘 | Henglein A Kormann C | 1985 | International Journal of Radiation Biology1985，48，： | 1 |
| 17 | An analytical footprint model for non- neutral stratification显示文摘 | Kormann R Meixner F 2001 | 2001 | Bound-Layer Meteor2001，99，2： | 1 |
| 18 | Prepartion and characterization of quantum-size titanium dioxide显示文摘 | KORMANN C HOFFMANN M R | 1988 | J Phys Chem1988，92，： | 1 |
| 19 | Purification andproperties of an NADP -dependent glycerol dehydrogenase from rabbit skeletal muscle 显示文摘 | Kormann A W Hurst R O Flynn T G | 1972 | Biochim Biophys Acta1972，258，1： | 1 |
| 20 | Ribose administration during exercise: Effects on substrates and products of energy metabolism in healthy subjects and a patient with myoadenylate deaminase deficiency显示文摘 | Gross M Kormann B Zllner N | 1991 | Journal of Molecular Medicine1991，69，4： | 1 |
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