Zobrazeno 1 - 10
of 38
pro vyhledávání: '"Steneteg, Peter"'
Autor:
Dieckmann, Mark Eric, Falk, Martin, Steneteg, Peter, Folini, Doris, Hotz, Ingrid, Nordman, Aida, Dell'Acqua, Pierangelo, Ynnerman, Anders, Walder, Rolf
We present the results from a particle-in-cell (PIC) simulation that models the interaction between a spatially localized electron-positron cloud and an electron-ion plasma. The latter is permeated by a magnetic field that is initially spatially unif
Externí odkaz:
http://arxiv.org/abs/2001.09457
Autor:
Jönsson, Daniel, Steneteg, Peter, Sundén, Erik, Englund, Rickard, Kottravel, Sathish, Falk, Martin, Ynnerman, Anders, Hotz, Ingrid, Ropinski, Timo
The complexity of today's visualization applications demands specific visualization systems tailored for the development of these applications. Frequently, such systems utilize levels of abstraction to improve the application development process, for
Externí odkaz:
http://arxiv.org/abs/1811.12517
Publikováno v:
Phys. Rev. B 94, 054111 (2016)
We present a theoretical scheme to calculate the elastic constants of magnetic materials in the high-temperature paramagnetic state. Our approach is based on a combination of disordered local moments picture and ab initio molecular dynamics (DLM-MD).
Externí odkaz:
http://arxiv.org/abs/1604.08855
Autor:
Steneteg, Peter
This thesis is focused on molecular dynamics simulations, both classical and ab initio. It is devoted to development of new methods and applications of molecular dynamics based techniques to a series of materials, all of which have the common propert
Externí odkaz:
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-78823
Autor:
Steneteg, Peter, Rosengren, Lars Erik
There are many different codes available for making molecular dynamic simulation. Most of these are focused on high performance mainly. We have moved that focus towards modularity, flexibility and user friendliness. Our goal has been to design a soft
Externí odkaz:
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-6053
Publikováno v:
Phys. Rev. B 91, 094101 (2015)
Simulations of defects in paramagnetic materials at high temperature constitute a formidable challenge to solid state theory due to the interaction of magnetic disorder, vibrations, and structural relaxations. CrN is a material where these effects ar
Externí odkaz:
http://arxiv.org/abs/1410.5346
Autor:
Shulumba, Nina, Alling, Björn, Hellman, Olle, Mozafari, Elham, Steneteg, Peter, Odén, Magnus, Abrikosov, Igor A.
We present a theoretical first-principles method to calculate the free energy of a magnetic system in its high-temperature paramagnetic phase, including vibrational, electronic, and magnetic contributions. The method for calculating free energies is
Externí odkaz:
http://arxiv.org/abs/1403.4766
We have developed a thorough and accurate method of determining anharmonic free energies, the temperature dependent effective potential technique (TDEP). It is based on \emph{ab initio} molecular dynamics followed by a mapping onto a model Hamiltonia
Externí odkaz:
http://arxiv.org/abs/1303.1145
Publikováno v:
J. Chem. Phys. 135, 164111 (2011)
Extended free energy Lagrangians are proposed for first principles molecular dynamics simulations at finite electronic temperatures for plane-wave pseudopotential and local orbital density matrix based calculations. Thanks to the extended Lagrangian
Externí odkaz:
http://arxiv.org/abs/1111.0261
Equation of state for chromium nitride has been debated in the literature in connection with a proposed collapse of its bulk modulus following the pressure induced transition from the paramagnetic cubic phase to the antiferromagnetic orthorhombic pha
Externí odkaz:
http://arxiv.org/abs/1110.1331