Disciplines
Nuclear Engineering
Abstract (300 words maximum)
In this study, novel materials will be researched, and their potential uses for tritium control. 12 studies have been collected on various materials that give a solid foundation for future research that will be conducted regarding tritium control. All these studies used molecular dynamics simulation (MDS) to generate results. The first paper found from a university in Crete, Greece discussed pillared graphene to store hydrogen in a novel 3D carbon nanostructure in which pore size and surface area can be adjusted to suit the need. This was the first of several studies that aim to arrange the graphene in such a way that hydrogen isotopes like tritium could be stored. Studies found in Massachusetts, California, Japan, Taiwan, China, Greece, Germany, Spain, and France show some similar methodologies of using MDS to create models of how tritium or deuterium can be safely stored or captured as the molecules move around in a specific environment. A simulation of interest conducted in Sandia National labs shows the diffusion of Hydrogen through aluminum, highlighting the importance of novel solutions to this problem and how difficult it is for these isotopes to be stored using standard methods. We are collating all these methods and techniques made by other institutions and labs to create models that can be used in any scenario within reason. The method of choice for this type of research is to use an MDS software called Large-scale Atomic/Molecular Massively Parallel Simulator or LAMMPS to create functional models of what occurs within a reactor. This is the preferred practice when conducting this research as creating physical models can be expensive and require extensive safety equipment. The future of this research will be to find ways that these and more novel materials can be used to create advanced filtration and extraction methods from existing sources such as active nuclear reactors and be able to store hydrogen isotopes for extended periods of time.
Academic department under which the project should be listed
SPCEET - Mechanical Engineering
Primary Investigator (PI) Name
Jungkyu Park
Included in
Molecular Dynamics Study for Tritium Adsorption on Novel Materials
In this study, novel materials will be researched, and their potential uses for tritium control. 12 studies have been collected on various materials that give a solid foundation for future research that will be conducted regarding tritium control. All these studies used molecular dynamics simulation (MDS) to generate results. The first paper found from a university in Crete, Greece discussed pillared graphene to store hydrogen in a novel 3D carbon nanostructure in which pore size and surface area can be adjusted to suit the need. This was the first of several studies that aim to arrange the graphene in such a way that hydrogen isotopes like tritium could be stored. Studies found in Massachusetts, California, Japan, Taiwan, China, Greece, Germany, Spain, and France show some similar methodologies of using MDS to create models of how tritium or deuterium can be safely stored or captured as the molecules move around in a specific environment. A simulation of interest conducted in Sandia National labs shows the diffusion of Hydrogen through aluminum, highlighting the importance of novel solutions to this problem and how difficult it is for these isotopes to be stored using standard methods. We are collating all these methods and techniques made by other institutions and labs to create models that can be used in any scenario within reason. The method of choice for this type of research is to use an MDS software called Large-scale Atomic/Molecular Massively Parallel Simulator or LAMMPS to create functional models of what occurs within a reactor. This is the preferred practice when conducting this research as creating physical models can be expensive and require extensive safety equipment. The future of this research will be to find ways that these and more novel materials can be used to create advanced filtration and extraction methods from existing sources such as active nuclear reactors and be able to store hydrogen isotopes for extended periods of time.