Numerical scheme for the far-out-of-equilibrium time-dependent Boltzmann collision operator: 1D second-degree momentum discretisation and adaptive time stepping
Study of far-from-equilibrium thermalization dynamics in quantum materials, including the dynamics of different types of quasiparticles, is becoming increasingly crucial. However, the inherent complexity of either the full quantum mechanical treatment or the solution of the scattering integral in...
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sg-ntu-dr.10356-1594532022-06-21T07:31:29Z Numerical scheme for the far-out-of-equilibrium time-dependent Boltzmann collision operator: 1D second-degree momentum discretisation and adaptive time stepping Wadgaonkar, I. Jain, R. Battiato, Marco School of Physical and Mathematical Sciences Physics - Computational Physics Boltzmann Equation Ultrafast Dynamics Study of far-from-equilibrium thermalization dynamics in quantum materials, including the dynamics of different types of quasiparticles, is becoming increasingly crucial. However, the inherent complexity of either the full quantum mechanical treatment or the solution of the scattering integral in the Boltzmann approach, has significantly limited the progress in this domain. In our previous work we had developed a solver to calculate the scattering integral in the Boltzmann equation. The solver is free of any approximation (no linearisation of the scattering operator, no close-to-equilibrium approximation, full non-analytic dispersions, full account of Pauli factors, and no limit to low order scattering) \cite{Michael}. Here we extend it to achieve a higher order momentum space convergence by extending to second degree basis functions.cWe further use an adaptive time stepper, achieving a significant improvement in the numerical performance. Moreover we show adaptive time stepping can prevent intrinsic instabilities in the time propagation of the Boltzmann scattering operator. This work makes the numerical time propagation of the full Boltzmann scattering operator efficient, stable and minimally reliant on human supervision. Nanyang Technological University I.W. and M.B. acknowledge Nanyang Technological University, Singapore, NAP-SUG; R.J. acknowledges Nanyang Technological University, Singapore, NTU-India Connect Internship Programme. 2022-06-21T07:31:29Z 2022-06-21T07:31:29Z 2021 Journal Article Wadgaonkar, I., Jain, R. & Battiato, M. (2021). Numerical scheme for the far-out-of-equilibrium time-dependent Boltzmann collision operator: 1D second-degree momentum discretisation and adaptive time stepping. Computer Physics Communications, 263, 107863-. https://dx.doi.org/10.1016/j.cpc.2021.107863 0010-4655 https://hdl.handle.net/10356/159453 10.1016/j.cpc.2021.107863 2-s2.0-85101127081 263 107863 en NAP-SUG Computer Physics Communications © 2021 Elsevier B.V. All rights reserved. |
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Physics - Computational Physics Boltzmann Equation Ultrafast Dynamics Wadgaonkar, I. Jain, R. Battiato, Marco Numerical scheme for the far-out-of-equilibrium time-dependent Boltzmann collision operator: 1D second-degree momentum discretisation and adaptive time stepping |
description |
Study of far-from-equilibrium thermalization dynamics in quantum materials,
including the dynamics of different types of quasiparticles, is becoming
increasingly crucial. However, the inherent complexity of either the full
quantum mechanical treatment or the solution of the scattering integral in the
Boltzmann approach, has significantly limited the progress in this domain. In
our previous work we had developed a solver to calculate the scattering
integral in the Boltzmann equation. The solver is free of any approximation (no
linearisation of the scattering operator, no close-to-equilibrium
approximation, full non-analytic dispersions, full account of Pauli factors,
and no limit to low order scattering) \cite{Michael}. Here we extend it to
achieve a higher order momentum space convergence by extending to second degree
basis functions.cWe further use an adaptive time stepper, achieving a
significant improvement in the numerical performance. Moreover we show adaptive
time stepping can prevent intrinsic instabilities in the time propagation of
the Boltzmann scattering operator. This work makes the numerical time
propagation of the full Boltzmann scattering operator efficient, stable and
minimally reliant on human supervision. |
author2 |
School of Physical and Mathematical Sciences |
author_facet |
School of Physical and Mathematical Sciences Wadgaonkar, I. Jain, R. Battiato, Marco |
format |
Article |
author |
Wadgaonkar, I. Jain, R. Battiato, Marco |
author_sort |
Wadgaonkar, I. |
title |
Numerical scheme for the far-out-of-equilibrium time-dependent Boltzmann collision operator: 1D second-degree momentum discretisation and adaptive time stepping |
title_short |
Numerical scheme for the far-out-of-equilibrium time-dependent Boltzmann collision operator: 1D second-degree momentum discretisation and adaptive time stepping |
title_full |
Numerical scheme for the far-out-of-equilibrium time-dependent Boltzmann collision operator: 1D second-degree momentum discretisation and adaptive time stepping |
title_fullStr |
Numerical scheme for the far-out-of-equilibrium time-dependent Boltzmann collision operator: 1D second-degree momentum discretisation and adaptive time stepping |
title_full_unstemmed |
Numerical scheme for the far-out-of-equilibrium time-dependent Boltzmann collision operator: 1D second-degree momentum discretisation and adaptive time stepping |
title_sort |
numerical scheme for the far-out-of-equilibrium time-dependent boltzmann collision operator: 1d second-degree momentum discretisation and adaptive time stepping |
publishDate |
2022 |
url |
https://hdl.handle.net/10356/159453 |
_version_ |
1736856394649305088 |