Quantum simulations of nuclei and nuclear pasta with the multiresolution adaptive numerical environment for scientific simulations
Abstract
Neutron star and supernova matter at densities just below the nuclear matter saturation density is expected to form a lattice of exotic shapes. These so-called nuclear pasta phases are caused by Coulomb frustration. Their elastic and transport properties are believed to play an important role for thermal and magnetic field evolution, rotation, and oscillation of neutron stars. Furthermore, they can impact neutrino opacities in core-collapse supernovae. In this work, we present proof-of-principle three-dimensional (3D) Skyrme Hartree-Fock (SHF) simulations of nuclear pasta with the Multi-resolution ADaptive Numerical Environment for Scientific Simulations (MADNESS). We perform benchmark studies of 16O, 208Pb, and 238U nuclear ground states and calculate binding energies via 3D SHF simulations. Results are compared with experimentally measured binding energies as well as with theoretically predicted values from an established SHF code. The nuclear pasta simulation is initialized in the so-called waffle geometry as obtained by the Indiana University Molecular Dynamics (IUMD) code. The size of the unit cell is 24 fm with an average density of about ρ = 0.05fm-3, proton fraction of Yp = 0.3, and temperature of T = 0 MeV. Overall, our calculations reproduce the binding energies and shapes of light and heavy nuclei with different geometries.more »
- Authors:
-
[2];
- Indiana Univ., Bloomington, IN (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1787948
- Alternate Identifier(s):
- OSTI ID: 1252118
- Grant/Contract Number:
- AC05-00OR22725; FG02-87ER40365; SC0008808
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review C
- Additional Journal Information:
- Journal Volume: 93; Journal Issue: 5; Journal ID: ISSN 2469-9985
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 73 NUCLEAR PHYSICS AND RADIATION PHYSICS; nuclear astrophysics; nuclear forces; nuclear matter in neutron stars; molecular dynamics; nuclear density functional theory
Citation Formats
Sagert, I., Fann, G. I., Fattoyev, F. J., Postnikov, S., and Horowitz, C. J. Quantum simulations of nuclei and nuclear pasta with the multiresolution adaptive numerical environment for scientific simulations. United States: N. p., 2016.
Web. doi:10.1103/physrevc.93.055801.
Sagert, I., Fann, G. I., Fattoyev, F. J., Postnikov, S., & Horowitz, C. J. Quantum simulations of nuclei and nuclear pasta with the multiresolution adaptive numerical environment for scientific simulations. United States. https://doi.org/10.1103/physrevc.93.055801
Sagert, I., Fann, G. I., Fattoyev, F. J., Postnikov, S., and Horowitz, C. J. Mon .
"Quantum simulations of nuclei and nuclear pasta with the multiresolution adaptive numerical environment for scientific simulations". United States. https://doi.org/10.1103/physrevc.93.055801. https://www.osti.gov/servlets/purl/1787948.
@article{osti_1787948,
title = {Quantum simulations of nuclei and nuclear pasta with the multiresolution adaptive numerical environment for scientific simulations},
author = {Sagert, I. and Fann, G. I. and Fattoyev, F. J. and Postnikov, S. and Horowitz, C. J.},
abstractNote = {Neutron star and supernova matter at densities just below the nuclear matter saturation density is expected to form a lattice of exotic shapes. These so-called nuclear pasta phases are caused by Coulomb frustration. Their elastic and transport properties are believed to play an important role for thermal and magnetic field evolution, rotation, and oscillation of neutron stars. Furthermore, they can impact neutrino opacities in core-collapse supernovae. In this work, we present proof-of-principle three-dimensional (3D) Skyrme Hartree-Fock (SHF) simulations of nuclear pasta with the Multi-resolution ADaptive Numerical Environment for Scientific Simulations (MADNESS). We perform benchmark studies of 16O, 208Pb, and 238U nuclear ground states and calculate binding energies via 3D SHF simulations. Results are compared with experimentally measured binding energies as well as with theoretically predicted values from an established SHF code. The nuclear pasta simulation is initialized in the so-called waffle geometry as obtained by the Indiana University Molecular Dynamics (IUMD) code. The size of the unit cell is 24 fm with an average density of about ρ = 0.05fm-3, proton fraction of Yp = 0.3, and temperature of T = 0 MeV. Overall, our calculations reproduce the binding energies and shapes of light and heavy nuclei with different geometries. For the pasta simulation, we find that the final geometry is very similar to the initial waffle state. We compare calculations with and without spin-orbit forces. We find that while subtle differences are present, the pasta phase remains in the waffle geometry. Within the MADNESS framework, we can successfully perform calculations of inhomogeneous nuclear matter. By using pasta configurations from IUMD it is possible to explore different geometries and test the impact of self-consistent calculations on the latter.},
doi = {10.1103/physrevc.93.055801},
journal = {Physical Review C},
number = 5,
volume = 93,
place = {United States},
year = {Mon May 09 00:00:00 EDT 2016},
month = {Mon May 09 00:00:00 EDT 2016}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 18 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Adaptive multi-resolution 3D Hartree-Fock-Bogoliubov solver for nuclear structure
journal, August 2014
- Pei, J. C.; Fann, G. I.; Harrison, R. J.
- Physical Review C, Vol. 90, Issue 2
Nuclear “pasta” formation
journal, December 2013
- Schneider, A. S.; Horowitz, C. J.; Hughto, J.
- Physical Review C, Vol. 88, Issue 6
Structure of Matter below Nuclear Saturation Density
journal, June 1983
- Ravenhall, D. G.; Pethick, C. J.; Wilson, J. R.
- Physical Review Letters, Vol. 50, Issue 26
Appearance of the single gyroid network phase in “nuclear pasta” matter
journal, February 2015
- Schuetrumpf, B.; Klatt, M. A.; Iida, K.
- Physical Review C, Vol. 91, Issue 2
The TDHF code Sky3D
journal, July 2014
- Maruhn, J. A.; Reinhard, P. -G.; Stevenson, P. D.
- Computer Physics Communications, Vol. 185, Issue 7
Multiresolution quantum chemistry: Basic theory and initial applications
journal, December 2004
- Harrison, Robert J.; Fann, George I.; Yanai, Takeshi
- The Journal of Chemical Physics, Vol. 121, Issue 23
A comparative study of Hartree-Fock iteration techniques
journal, April 1982
- Reinhard, P. -G.; Cusson, R. Y.
- Nuclear Physics A, Vol. 378, Issue 3
Time-dependent Hartree-Fock approach to nuclear “pasta” at finite temperature
journal, May 2013
- Schuetrumpf, B.; Klatt, M. A.; Iida, K.
- Physical Review C, Vol. 87, Issue 5
Adaptive Solution of Partial Differential Equations in Multiwavelet Bases
journal, October 2002
- Alpert, B.; Beylkin, G.; Gines, D.
- Journal of Computational Physics, Vol. 182, Issue 1
Nuclear matter in the crust of neutron stars
journal, August 2007
- Gögelein, P.; Müther, H.
- Physical Review C, Vol. 76, Issue 2
Dynamical response of the nuclear “pasta” in neutron star crusts
journal, September 2005
- Horowitz, C. J.; Pérez-García, M. A.; Berry, D. K.
- Physical Review C, Vol. 72, Issue 3
The Ame2003 atomic mass evaluation
journal, December 2003
- Audi, G.; Wapstra, A. H.; Thibault, C.
- Nuclear Physics A, Vol. 729, Issue 1
Neutron star crusts
journal, January 1993
- Lorenz, C. P.; Ravenhall, D. G.; Pethick, C. J.
- Physical Review Letters, Vol. 70, Issue 4
Neutron star matter
journal, November 1971
- Baym, Gordon; Bethe, Hans A.; Pethick, Christopher J.
- Nuclear Physics A, Vol. 175, Issue 2
Disordered Nuclear Pasta, Magnetic Field Decay, and Crust Cooling in Neutron Stars
journal, January 2015
- Horowitz, C. J.; Berry, D. K.; Briggs, C. M.
- Physical Review Letters, Vol. 114, Issue 3
MADNESS applied to density functional theory in chemistry and nuclear physics
journal, July 2007
- Fann, G. I.; Harrison, R. J.; Beylkin, G.
- Journal of Physics: Conference Series, Vol. 78
Variations on a theme by Skyrme: A systematic study of adjustments of model parameters
journal, March 2009
- Klüpfel, P.; Reinhard, P. -G.; Bürvenich, T. J.
- Physical Review C, Vol. 79, Issue 3
Explosion Mechanisms of Core-Collapse Supernovae
journal, November 2012
- Janka, Hans-Thomas
- Annual Review of Nuclear and Particle Science, Vol. 62, Issue 1
Sub-saturation phases of nuclear matter
journal, March 1985
- Williams, R. D.; Koonin, S. E.
- Nuclear Physics A, Vol. 435, Issue 3-4
Density as a constraint and the separation of internal excitation energy in TDHF
journal, September 1985
- Cusson, R. Y.; Reinhard, P. -G.; Strayer, M. R.
- Zeitschrift f�r Physik A Atoms and Nuclei, Vol. 320, Issue 3
Physics of Neutron Star Crusts
journal, December 2008
- Chamel, Nicolas; Haensel, Pawel
- Living Reviews in Relativity, Vol. 11, Issue 1
Light clusters, pasta phases, and phase transitions in core-collapse supernova matter
journal, May 2015
- Pais, Helena; Chiacchiera, Silvia; Providência, Constança
- Physical Review C, Vol. 91, Issue 5
Phase diagram of nuclear “pasta” and its uncertainties in supernova cores
journal, March 2008
- Sonoda, Hidetaka; Watanabe, Gentaro; Sato, Katsuhiko
- Physical Review C, Vol. 77, Issue 3
Nuclear shapes in the inner crust of a neutron star
journal, August 1993
- Oyamatsu, K.
- Nuclear Physics A, Vol. 561, Issue 3
Nuclear “pasta” structures and the charge screening effect
journal, July 2005
- Maruyama, Toshiki; Tatsumi, Toshitaka; Voskresensky, Dmitri N.
- Physical Review C, Vol. 72, Issue 1
Liquid crystals in the mantles of neutron stars
journal, May 1998
- Pethick, C. J.; Potekhin, A. Y.
- Physics Letters B, Vol. 427, Issue 1-2
Exploring the Nuclear Pasta Phase in Core-Collapse Supernova Matter
journal, October 2012
- Pais, Helena; Stone, Jirina R.
- Physical Review Letters, Vol. 109, Issue 15
Application of the imaginary time step method to the solution of the static Hartree-Fock problem
journal, June 1980
- Davies, K. T. R.; Flocard, H.; Krieger, S.
- Nuclear Physics A, Vol. 342, Issue 1
Fast multiresolution methods for density functional theory in nuclear physics
journal, July 2009
- Fann, G. I.; Pei, J.; Harrison, R. J.
- Journal of Physics: Conference Series, Vol. 180
A Class of Bases in $L^2$ for the Sparse Representation of Integral Operators
journal, January 1993
- Alpert, Bradley K.
- SIAM Journal on Mathematical Analysis, Vol. 24, Issue 1
Modeling nuclear “pasta” and the transition to uniform nuclear matter with the 3D Skyrme-Hartree-Fock method at finite temperature: Core-collapse supernovae
journal, May 2009
- Newton, W. G.; Stone, J. R.
- Physical Review C, Vol. 79, Issue 5
The role of spin–orbit potential in nuclear prolate-shape dominance
journal, August 2011
- Takahara, Satoshi; Onishi, Naoki; Shimizu, Yoshifumi R.
- Physics Letters B, Vol. 702, Issue 5
An Overview of Wavelet Based Multiresolution Analyses
journal, September 1994
- Jawerth, Björn; Sweldens, Wim
- SIAM Review, Vol. 36, Issue 3
Crust-core coupling and r-mode damping in neutron stars: a toy model
journal, July 2001
- Levin, Yuri; Ushomirsky, Greg
- Monthly Notices of the Royal Astronomical Society, Vol. 324, Issue 4
Multiresolution computational chemistry
journal, January 2005
- Harrison, Robert J.; Fann, George I.; Gan, Zhengting
- Journal of Physics: Conference Series, Vol. 16
Hartree-Fock Calculations with Skyrme's Interaction. I. Spherical Nuclei
journal, March 1972
- Vautherin, D.; Brink, D. M.
- Physical Review C, Vol. 5, Issue 3
Pasta nucleosynthesis: Molecular dynamics simulations of nuclear statistical equilibrium
journal, June 2015
- Caplan, M. E.; Schneider, A. S.; Horowitz, C. J.
- Physical Review C, Vol. 91, Issue 6
Formation of Nuclear “Pasta” in Supernovae
journal, September 2009
- Watanabe, Gentaro; Sonoda, Hidetaka; Maruyama, Toshiki
- Physical Review Letters, Vol. 103, Issue 12
A highly resistive layer within the crust of X-ray pulsars limits their spin periods
journal, June 2013
- Pons, José A.; Viganò, Daniele; Rea, Nanda
- Nature Physics, Vol. 9, Issue 7
Simulation of Transitions between “Pasta” Phases in Dense Matter
journal, January 2005
- Watanabe, Gentaro; Maruyama, Toshiki; Sato, Katsuhiko
- Physical Review Letters, Vol. 94, Issue 3
Phase transitions in core-collapse supernova matter at sub-saturation densities
journal, December 2014
- Pais, Helena; Newton, William G.; Stone, Jirina R.
- Physical Review C, Vol. 90, Issue 6
Nonuniform neutron-rich matter and coherent neutrino scattering
journal, December 2004
- Horowitz, C. J.; Pérez-García, M. A.; Carriere, J.
- Physical Review C, Vol. 70, Issue 6
Finite size effects in neutron star and nuclear matter simulations
journal, January 2015
- Giménez Molinelli, P. A.; Dorso, C. O.
- Nuclear Physics A, Vol. 933
Self-consistent mean-field models for nuclear structure
journal, January 2003
- Bender, Michael; Heenen, Paul-Henri; Reinhard, Paul-Gerhard
- Reviews of Modern Physics, Vol. 75, Issue 1
Shape of Nuclei in the Crust of Neutron Star
journal, February 1984
- Hashimoto, M. -a.; Seki, H.; Yamada, M.
- Progress of Theoretical Physics, Vol. 71, Issue 2
Nuclear “waffles”
journal, November 2014
- Schneider, A. S.; Berry, D. K.; Briggs, C. M.
- Physical Review C, Vol. 90, Issue 5
Neutrino-“pasta” scattering: The opacity of nonuniform neutron-rich matter
journal, April 2004
- Horowitz, C. J.; Pérez-García, M. A.; Piekarewicz, J.
- Physical Review C, Vol. 69, Issue 4
Structure of the inner crust of neutron stars: Crystal lattice or disordered phase?
journal, April 2002
- Magierski, P.; Heenen, P. -H.
- Physical Review C, Vol. 65, Issue 4
Direct Urca process in a neutron star mantle
journal, June 2004
- Gusakov, M. E.; Yakovlev, D. G.; Haensel, P.
- Astronomy & Astrophysics, Vol. 421, Issue 3
Multiresolution quantum chemistry in multiwavelet bases: Analytic derivatives for Hartree–Fock and density functional theory
journal, August 2004
- Yanai, Takeshi; Fann, George I.; Gan, Zhengting
- The Journal of Chemical Physics, Vol. 121, Issue 7
Nuclear “pasta matter” for different proton fractions
journal, November 2014
- Schuetrumpf, B.; Iida, K.; Maruhn, J. A.
- Physical Review C, Vol. 90, Issue 5
Gyroid Phase in Nuclear Pasta
journal, September 2009
- Nakazato, Ken’ichiro; Oyamatsu, Kazuhiro; Yamada, Shoichi
- Physical Review Letters, Vol. 103, Issue 13
Shear viscosity and thermal conductivity of nuclear “pasta”
journal, September 2008
- Horowitz, C. J.; Berry, D. K.
- Physical Review C, Vol. 78, Issue 3
Coordinate-Space Hartree-Fock-Bogoliubov Solvers for Super fluid Fermi Systems in Large Boxes
journal, December 2012
- Pei, J. C.; Fann, G. I.; Harrison, R. J.
- Journal of Physics: Conference Series, Vol. 402
Upper limits on the observational effects of nuclear pasta in neutron stars: Effects of nuclear pasta in neutron stars
journal, October 2011
- Gearheart, M.; Newton, W. G.; Hooker, J.
- Monthly Notices of the Royal Astronomical Society, Vol. 418, Issue 4
The Skyrme interaction in finite nuclei and nuclear matter
journal, April 2007
- Stone, J. R.; Reinhard, P. -G.
- Progress in Particle and Nuclear Physics, Vol. 58, Issue 2
Works referencing / citing this record:
Nuclear Equation of State for Compact Stars and Supernovae
book, January 2018
- Fiorella Burgio, G.; Fantina, Anthea F.
- The Physics and Astrophysics of Neutron Stars
Domains and defects in nuclear "pasta"
text, January 2018
- Schneider, Andre da Silva; Caplan, Matt E.; Berry, Don K.
- arXiv
Quantum Nuclear Pasta and Nuclear Symmetry Energy
text, January 2017
- Fattoyev, F. J.; Horowitz, C. J.; Schuetrumpf, B.
- arXiv
Nuclear Equation of state for Compact Stars and Supernovae
text, January 2018
- Burgio, G. Fiorella; Fantina, Anthea F.
- arXiv
A New Open-Source Nuclear Equation of State Framework based on the Liquid-Drop Model with Skyrme Interaction
text, January 2017
- Schneider, Andre da Silva; Roberts, Luke F.; Ott, Christian D.
- arXiv