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[Fizinfo] Szemináriumok - Seminars: Podmaniczky Frigyes

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  • From: Szeminárium koordinátor <sem-admin AT>
  • To: SZFI User <szfkiuser AT>,Fizinfo <fizinfo AT>
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  • Subject: [Fizinfo] Szemináriumok - Seminars: Podmaniczky Frigyes
  • Date: Sat, 24 Jun 2023 06:00:01 +0200 (CEST)
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SZFI SzemináriumPodmaniczky FrigyesMTA Wigner FK SZFIPhase-field crystal
modeling of nucleation and growth processes - PhD házi védés2023. június 29.
csütörtök, 10.00, KFKI Telephely, I. épület 1. emeleti TanácsteremThe first
rigorous treatment of the solid-liquid transition dates back to the work of
Ramakrishnan and Yussouff from the late 70’s, which connected the homogeneous
liquid with the highly inhomogeneous phase within a single microscopic order
parameter theory. This served as inspiration for the modern classical density
functional theories of solidification. However, these models suffer from poor
numerical efficiency due to the resolution required for the accurate
representation of the structural correlations of the homogeneous liquid. In
the early 2000’s Elder et al. have managed to formulate a one-mode
approximation to the same physical phenomenon, termed the phase-field crystal
(PFC) model [1], which is numerically less demanding, yet qualitatively
accurate and managed to track the temporal evolution of systems on the
micrometer scale. A significant advantage of the PFC model over
coarse-grained phase-field models is, that the choice of the order parameter,
namely the one-particle average density is inhomogeneous in the equilibrium
solid phase and carries the same symmetries as the crystal. This leads to the
natural coupling of elastic effects to thermodynamics, without the use of ad
hoc auxiliary fields. Within the PFC framework, I have analysed [2] the
structural signatures of solid clusters, that develop in quenched liquids,
prior to the appearance of BCC crystals. The mechanism behind the formation
of polycrystalline clusters, initiated from a single perfect crystal will be
elucidated, which gives a microscopic explanation of such complex growth
forms as spherulites. I have also made progress in the understanding of
defect formation during strained epitaxial growth, the importance of the
kinetic pathways to defect formation as opposed to equilibrium energy balance
arguments will be considered. [1] K. R. Elder, M. Katakowski, M. Haataja, M.
Grant, Phys. Rev. Lett. 88, 245701 (2002) [2] L. Gránásy, Gy. I. Tóth, J.
A. Warren, F. Podmaniczky, Gy. Tegze, L. Rátkai, T. Pusztai, Prog. Mat. Sci.
106, 100569 (2019)&nbsp;Minden érdeklődőt szívesen látunk! - Everyone is
welcome to attend.Nagy Attilasem-admin AT

  • [Fizinfo] Szemináriumok - Seminars: Podmaniczky Frigyes, Szeminárium koordinátor, 06/24/2023

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