scholarly journals Thomas‐Fermi Calculations of Atoms and Matter in Magnetic Neutron Stars. II. Finite Temperature Effects

1998 ◽  
Vol 502 (2) ◽  
pp. 847-857 ◽  
Author(s):  
A. Thorolfsson ◽  
O. E. Rognvaldsson ◽  
J. Yngvason ◽  
E. H. Gudmundsson
Keyword(s):  
Neutron Stars ◽  
Finite Temperature ◽  
Temperature Effects ◽  
Thomas Fermi

scholarly journals Finite-temperature effects on interacting bosonic one-dimensional systems in disordered lattices

2016 ◽  
Vol 93 (3) ◽  
Author(s):  
Lorenzo Gori ◽  
Thomas Barthel ◽  
Avinash Kumar ◽  
Eleonora Lucioni ◽  
Luca Tanzi ◽  
...  
Keyword(s):  
Finite Temperature ◽  
Temperature Effects ◽  
One Dimensional

scholarly journals Complete positivity, finite-temperature effects, and additivity of noise for time-local qubit dynamics

2016 ◽  
Vol 93 (5) ◽  
Author(s):  
Juho Lankinen ◽  
Henri Lyyra ◽  
Boris Sokolov ◽  
Jose Teittinen ◽  
Babak Ziaei ◽  
...  
Keyword(s):  
Finite Temperature ◽  
Temperature Effects ◽  
Complete Positivity

scholarly journals Finite Temperature Effects on Supernova Explosion Energy and Hyperon Composition

2004 ◽  
Vol 156 ◽  
pp. 152-153
Author(s):  
Chikako Ishizuka ◽  
Akira Ohnishi ◽  
Kousuke Sumiyoshi ◽  
Shoichi Yamada
Keyword(s):  
Finite Temperature ◽  
Temperature Effects ◽  
Supernova Explosion ◽  
Explosion Energy

scholarly journals Beyond second-order convergence in simulations of magnetized binary neutron stars with realistic microphysics

2019 ◽  
Vol 490 (3) ◽  
pp. 3588-3600 ◽  
Author(s):  
E R Most ◽  
L Jens Papenfort ◽  
L Rezzolla
Keyword(s):  
Neutron Stars ◽  
Fourth Order ◽  
Finite Temperature ◽  
Equations Of State ◽  
Magnetic Energy ◽  
Second Order ◽  
Conservative Finite Difference Scheme ◽  
Order Scheme ◽  
Convergence Orders ◽  
The Impact

ABSTRACT We investigate the impact of using high-order numerical methods to study the merger of magnetized neutron stars with finite-temperature microphysics and neutrino cooling in full general relativity. By implementing a fourth-order accurate conservative finite-difference scheme we model the inspiral together with the early post-merger and highlight the differences to traditional second-order approaches at the various stages of the simulation. We find that even for finite-temperature equations of state, convergence orders higher than second order can be achieved in the inspiral and post-merger for the gravitational-wave phase. We further demonstrate that the second-order scheme overestimates the amount of proton-rich shock-heated ejecta, which can have an impact on the modelling of the dynamical part of the kilonova emission. Finally, we show that already at low resolution the growth rate of the magnetic energy is consistently resolved by using a fourth-order scheme.

Finite-temperature effects in enzymatic reactions — Insights from QM/MM free-energy simulations

2009 ◽  
Vol 87 (10) ◽  
pp. 1322-1337 ◽  
Author(s):  
Hans Martin Senn ◽  
Johannes Kästner ◽  
Jürgen Breidung ◽  
Walter Thiel
Keyword(s):  
Free Energy ◽  
Finite Temperature ◽  
Temperature Effects ◽  
Density Functional ◽  
Umbrella Sampling ◽  
Chorismate Mutase ◽  
Enzymatic Reactions ◽  
Energy Data ◽  
Energy Simulations ◽  
Entropic Contribution

We report potential-energy and free-energy data for three enzymatic reactions: carbon–halogen bond formation in fluorinase, hydrogen abstraction from camphor in cytochrome P450cam, and chorismate-to-prephenate Claisen rearrangement in chorismate mutase. The results were obtained by combined quantum mechanics/molecular mechanics (QM/MM) optimizations and two types of QM/MM free-energy simulations (free-energy perturbation and umbrella sampling) using semi-empirical or density-functional QM methods. Based on these results and our previously published free-energy data on electrophilic substitution in para-hydroxybenzoate hydroxylase, we discuss the importance of finite-temperature effects in the chemical step of enzyme reactions. We find that the entropic contribution to the activation barrier is generally rather small, usually of the order of 5 kJ mol–1 or less, consistent with the notion that enzymes bind and pre-organize the reactants in the active site. A somewhat larger entropic contribution is encountered in the case of chorismate mutase where the pericyclic transition state is intrinsically more rigid than the chorismate reactant (also in the enzyme). The present results suggest that barriers from QM/MM geometry optimization may often be close to free-energy barriers for the chemical step in enzymatic reactions.

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