Transcript Lawrence Livermore National Laboratory

Lawrence Livermore National Laboratory
UNEDF Reactions:
Year-3 Progress and Year-4 Plans
Ian Thompson
Lawrence Livermore National Laboratory, P. O. Box 808, Livermore, CA 94551
This work performed under the auspices of the U.S. Department of Energy by
Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344
LLNL-PRES-NNNNNN
Work Topics in the Last Year

Gustavo Nobre:
•
•
•

Jutta Escher:
•

a parallel rewrite of the KKM code using K. Roche’s parallel library, a formal extension of
the KKM theory to doorway states
Toshihiko Kawano / Marc Dupuis:
•

Using HFB + QRPA code from UNC to give transition densities & potentials
Goran Arbanas and Carlos Bertulani with Kenny Roche:
•

Combined OPENMP/MPI parallel solution of coupled equations.
Begun new two-step MPI calculation of non-local optical potential
Ian Thompson and Jutta Escher:


Significance of energy- and density-dependence of effective interactions
Ian Thompson:
•
•

Calculated couplings between RPA states
Two-step transfers in nucleon scattering: via deuteron channel.
Testing combined inelastic + transfers for n and p reactions
Capture and pre-equilibrium reactions using HF-BCS and RPA models
Sofia Quaglioni & Petr Navratil
•
NCSM/RGM low-energy scattering: n + 7Li, and testing n + 12C, 16O
Lawrence Livermore National Laboratory
LLNL-PRES-414025
Pack Forest Meeting, June 2009
2
HP Computing Questions?
1.
We demonstrate the RPA-inelastic + deuteron-transfer calculations reproduce
~100% of nucleon reaction cross sections, in the doorway approximation.
So: good promise for ab initio optical potentials!
2.
HPC enables easy calculation of two-step optical potentials.
3.
Computational issues are under control. New parallel codes being written.
4.
Remaining part of Year-3 and Year-4? -- see next slides
5.
Work-plan for Year 5: production-line of optical potentials from Skyrme functionals.
6.
”Showcase Physics”: generation of 100% of optical potentials
(almost ready to publish).
Lawrence Livermore National Laboratory
LLNL-PRES-414025
Pack Forest Meeting, June 2009
3
Year-3 Deliverables?

NCSM/RGM low-energy scattering
•

Only couplings in bound states, so far.
With UNC help, codes now in place for spherical nuclei
We can now go from Skyrme functional to reaction sR(q,L)
Adding Two-step transfer contributions
•

Only to 5000 pw, by MPI + OPENMP parallelisation
New two-step method underway, targeting 5.105 pw.
Use realistic QRPA to improve reaction rates
•
•

n + 8He: not done
Use CCh wave functions for (n,g) capture reactions
•

n + 7Li: done;
Parallel Coupled Channels (CCh) for 105 partial waves (pw):
•
•

(Reactions)
Done: two-step (n,d)(d,n) very important!
Extend KKM model to doorway and scale for improved statistical sampling
•
•
Done: Parallel KKM code with K. Roche’s parallel library
a formal extension of the KKM theory to doorway states
Lawrence Livermore National Laboratory
LLNL-PRES-414025
Pack Forest Meeting, June 2009
4
Work Plans for remaining 2009
 Petr Navratil / Sofia Quaglioni
•
Begin n + 8He; deuteron projectiles
 Gustavo Nobre:
•
•
Choice of deuteron-nucleus potentials (a consistency problem)
Energy-dependence of combined inelastic + transfers for n and p reactions
 Jutta Escher:
•
Folding QRPA densities for scattering: exchange terms, effective mass, etc.
 Ian Thompson:
•
Nonlocal optical potentials from RPA & QRPA excitations, eg for 105 eqns.
 Goran Arbanas:
•
•
Parallel implementation of doorway KKM theory
Local reductions of optical potentials
 Marc Dupuis:
•
Publish one-step calculations pre-equilibrium for Zr, U, and Th.
 Takehito Watanabe (LANL) and/or Goran Arbanas
•
Direct nucleon capture on odd nuclei.
Lawrence Livermore National Laboratory
LLNL-PRES-414025
Pack Forest Meeting, June 2009
5
Year-4 Plans: Reactions
 NCSM/RGM low-energy scattering
•
n + 8He, 9Li, 12C, 16O (and others to be discussed with GFMC group)
 Consistent effective interactions
•
Use same physics in EDF & pairing & RPA & scattering folding
 Optical potentials from 2.105 partial waves for all QRPA states:
•
•
Parallel two-step method giving non-local optical potentials
Examine global reduction to local potentials.
 Use CCh wave functions for (n,g) capture reactions
•
Include entrance couplings in captures to deformed bound states
 Use spherical QRPA to improve reaction rates
•
Use for all ~180 known-spherical isotopes
•
Use deformed-QRPA when available late in year 4, or year 5.
 KKM resonance averaging
•
•
Use parallel KKM theory with doorway states
Demonstrate using CC entrance channel wfs for (n,g) capture
Lawrence Livermore National Laboratory
LLNL-PRES-414025
Pack Forest Meeting, June 2009
6
Reactions Workflow
Target
A = (N,Z)
UNEDF:
VNN, VNNN…
Structure Models
Methods: HF, DFT,
UNEDF Reaction Work
Ground state
Excited states
Continuum
states
RPA, CI, CC, …
KEY:
UNEDF Ab-initio Input
User Inputs/Outputs
Exchanged Data
Related research
Transition
Density [Nobre]
Transition Densities
Veff for
scattering
Folding
[Escher, Nobre]
Eprojectile
Transition Potentials
Deliverables
Residues
(N’,Z’)
HauserFeshbach
decay chains
[Ormand]
Partial
Fusion
Theory
[Thompson]
Inelastic
production
Compound
emission
Preequilibrium
emission
Neutron escape
[Summers,
Thompson]
Global optical
potentials
Voptical
Coupled Channels
or DWBA
[Thompson, Summers]
Two-step
Optical
Potential
or
Elastic
S-matrix
elements
Resonance
Averaging
[Arbanas]
Optical Potential
[Arbanas]
Lawrence Livermore National Laboratory
LLNL-PRES-414025
Pack Forest Meeting, June 2009
7