Symmetry-restored two-centre self-consistent approach to fission with arbitrary deformations, orientations, and distance of fragments

Lead Research Organisation: University of York
Department Name: Physics

Abstract

The vision of this proposal is to bring into the physics of nuclear fission the most advanced theoretical ideas and computation. Since the discovery of fission almost eighty years ago, a wealth of experimental data has been accumulated. This has been accompanied by the development of an efficient phenomenology and microscopy of spontaneous and induced fission. However, almost all of these studies rely on assuming the adiabaticity and/or thermalisation of fission. Is the energy sufficiently low and time sufficiently long for these assumptions to hold? This project has the ambition to implement theoretical modelling of fission that will deliver definite answers to these challenges.

From the outside, fission looks like a simple process where a single drop of matter splits into two or more smaller drops. However, this is very misleading: a huge conceptual gap exists between the splitting of liquid drops and nuclear fission. Briefly, during the fission process, one composite quantum system splits into two or more composite quantum systems, and all properties of such a process crucially depend on quantum physics, which is not the case for the classical liquid drop. Here, nucleons move in correlated quantum orbitals that evolve into correlated quantum orbitals within the fission fragments. Altogether, in fission we find all the beauty and difficulty of a mesoscopic system. The fission happens in the border region between classical and quantal, large and small, and slow and fast phenomena. This is why it is so challenging and consequently provides an important subject of fundamental science research.

Currently, the methodology used for describing induced fission at varying excitation energies is in a very rudimentary state. The standard framework, dating all the way back to the pioneering work of Bohr&Wheeler in 1939, is that of a hot thermalized compound nucleus, which is created after resonant neutron capture. However, applying this concept to the other mechanisms of creating pre-fission states is not really the right way to proceed. Indeed, after the beta-decay of a precursor system, photon absorption, Coulomb excitation by a passing charge, or particle transfer, the nucleus ends up in a fairly well determined intermediate "doorway" state, which then fissions. Depending on the excitation energy and fission time scale, such an intermediate state may or may not have enough time to thermalize, and then the very concept of a compound nucleus becomes highly questionable.

A full research programme to challenge the main paradigms of the theory of fission would require a substantial investment in the workforce and resources. The current proposal aims to deliver one fundamental computational element of such a programme, namely, the computer code that would allow for solving the nuclear DFT equations within the symmetry-restored two-centre self-consistent approach to fission with arbitrary deformations, orientations, and distance of fragments. The main challenge here is to perform efficient fission calculations using novel nonlocal density functionals, which are in the centre of current developments of the nuclear DFT. Using this tool, in the future, we will be able to build the doorway states explicitly, by employing the high-energy vibrational limit of the time-dependent density functional theory (DFT), and then to follow the fission with coupling to such vibrations included. This full programme will redefine future research of fission. We cannot anymore rely on the old ideas and simplifications. At present, not a single prediction of fission lifetimes beyond the adiabatic limit exists. To show that this is actually possible to obtain, would be in itself an important breakthrough in research. To show that without adiabaticity or thermalisation the results are fundamentally and qualitatively different, would lead to an entirely new approach to future research.

Publications

10 25 50
 
Title Two-center harmonic oscillator basis for Skyrme-Hartree-Fock calculations 
Description A series of papers exploring the two-centre harmonic oscillator bases is in preparation. The following list contains the main features implemented in the code HFODD as well as a brief explanation of their relevance. 1. The first one works as an introduction, where special emphasis is given to the theoretical framework and its numerical implementation. Due to the complexity and the computational burden involved, we chose as a Proof of Principle two light nuclei, where the results can be accurate enough with a reasonable computational burden. 2. The next upcoming publication analyses the ability of the method to describe more realistic problems, such as asymmetric fission and alpha-particle decay. However, due to technical problems in the computer cluster, the calculations were sent recently and still running. 3. A new diagonalisation procedure. Due to the non-orthogonality of the two-centre bases, the single-particle energies and eigenvectors must be obtained by solving a generalised eigenvalue problem. The new module hfodd_twocen, can solve the HF/HFB equations, feeding into the main code the single-particle (quasi-particles) energies and states 4. Matrix elements of the Skyrme Interaction and energy of the functional. The self-consistent loop coded in HFODD was modified to obtain the matrix elements associated with each centre and its off-diagonal term. The same strategy was implemented to obtain the total energy of the nucleus. This required additional loops and computing additional lattices for the numerical integration. Even though the computational burden for the two-centre basis method is remarkably large, the structure of this new implementation allows future developers to easily accelerate the process by parallelising (MPI or openMP). 5. A new treatment of the Coulomb interaction was implemented to make it compatible with both one-centre and two-centre calculations. The accuracy of this new method was tested in the first publication. The technology developed also sets the underpinnings of using a differently-oriented two-centre basis. 6. Constraints in two-centre basis systems. The code now allows the user to constrain the total system (two fragments) in the usual quantities, such as multipole deformation, rotational frequencies, etc. This allows us to explore complex problems such as fission paths or triaxility as well as describe odd nuclei through the tagging method. This opens the way to analysing odd-mass nuclei in fission. 7. A new method to constrain the particle numbers in each fragment was developed. This allows us to describe different configurations for the pre-fragments in the compound nucleus before it fissions. The impact of these configurations will be explored in the second publication. 
Type Of Material Improvements to research infrastructure 
Year Produced 2024 
Provided To Others? No  
Impact The research tool will be fundamental in the description of static and dynamic properties of fission and fusion reactions in nuclei.