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Träfflista för sökning "WFRF:(Romaner L.) srt2:(2021)"

Sökning: WFRF:(Romaner L.) > (2021)

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1.
  • Bodlos, R., et al. (författare)
  • Ab initio investigation of the atomic volume, thermal expansion, and formation energy of WTi solid solutions
  • 2021
  • Ingår i: Physical Review Materials. - : American Physical Society (APS). - 2475-9953. ; 5:4
  • Tidskriftsartikel (refereegranskat)abstract
    • WTi is used as an adhesive layer in integrated circuit devices. The temperature dependent mechanical properties of WTi are still largely unexplored. In this paper we investigate WTi solid solutions with density functional theory calculations to determine the temperature and concentration dependent behavior of volume and coefficient of thermal expansion. The coefficient of thermal expansion is analyzed in terms of the bulk modulus, heat capacity, and Gruneisen parameter. Furthermore, we gain insight into the bonding of the system via investigation of the electronic structure, phonon density of states, and analysis of the formation energy. Low Ti concentrations lead to strong W-Ti bonding, as manifested in additional high frequency peaks in the phonon density of states. As a consequence, deviations from Vegard's law are found at low Ti concentrations, with a minimum of the lattice constant at about 15 at.% Ti. The CTE as a function of Ti concentration shows a negative trend at low temperatures and Ti concentrations, which is related to a strong decrease of heat capacity. Finally we show that the Debye-Gruneisen model yields results for WTi comparable to the quasiharmonic approach at a fraction of the computational cost.
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2.
  • Renk, O., et al. (författare)
  • Stainless steel reveals an anomaly in thermal expansion behavior of severely deformed materials
  • 2021
  • Ingår i: Physical Review Materials. - : American Physical Society (APS). - 2475-9953. ; 5:11
  • Tidskriftsartikel (refereegranskat)abstract
    • Thermal expansion of materials is of fundamental practical relevance and arises from an interplay of several material properties. For nanocrystalline materials, accurate measurements of thermal expansion based on highprecision reference dilatometry allow inferring phenomena taking place at internal interfaces such as vacancy annihilation at grain boundaries. Here we report on measurements obtained for a severely deformed 316L austenitic steel, showing an anomaly in difference dilatometry curves which we attribute to the exceptionally high density of stacking faults. On the basis of ab intio simulations we report evidence that the peculiar magnetic state of the 316L austenitic steel causes stacking faults to expand more than the matrix. So far, the effect has only been observed for this particular austenitic steel but we expect that other magnetic materials could exhibit an even more pronounced anomaly.
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  • Resultat 1-2 av 2
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refereegranskat (2)
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Ruban, Andrei V. (2)
Romaner, L. (2)
Stark, A (1)
Eckert, J. (1)
Bodlos, R. (1)
Dengg, T. (1)
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Dehghani, M. (1)
Spitaler, J. (1)
Renk, O. (1)
Enzinger, R. (1)
Gammer, C. (1)
Scheiber, D. (1)
Oberdorfer, B. (1)
Tkadletz, M. (1)
Sprengel, W. (1)
Pippan, R. (1)
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