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Final Reports of the 2021 Los Alamos National Laboratory Computational Physics Student Summer Workshop

Since 2011, the Los Alamos National Laboratory Computational Physics Student Summer Workshop has been bringing together a highly talented and diverse group of students every summer. Students work in teams of two, alongside typically two mentors, on research projects reflecting a broad range of topics within computational physics. In addition, students attend a series of lectures on topics within computational physics, facility tours, and networking events. The program lasts ten weeks, with this year’s workshop running from June 7 to August 13. At the end of the summer, students give a final presentation, along with a written report. Those reports are what make up the remaining sections of this document. Admission to the workshop is by a competitive process, with the mentors forming the selection committee. One of the important accomplishments of the workshop has been to create a student pipeline from diverse schools that sometimes are not normally tapped by LANL recruiting. Many workshop students maintain a continuing relationship with LANL, returning as student interns, post-doctoral researchers, and staff members. Additionally, workshop alumni act as ambassadors for LANL. The result is a wider awareness both of LANL as a potential employer, and of the technical work that happens at LANL. This year, the workshop was once again in an off-site, virtual format. Students worked on LANL virtual desktop systems remotely, also accessing LANL HPC resources. In order to facilitate communication, student were given accounts on both Webex, a video teleconferencing platform, and Mattermost, an online team collaboration and chat platform, similar to Slack. Daily communication between students and mentors was primarily on Mattermost, with Webex conferencing as needed. The lectures were all done on Webex. Given the difficulty of the virtual format, and a concern that students might have video teleconferencing burn-out, all lectures were optional this year. In spite of this, the attendance was generally high. Lecturers were asked to try to move to a more high-level, ”What is it?,” format. Once again, the students did a tremendous job. Over the course of ten weeks, they did important research across a staggering array of disciplines. The following pages contain the final report for each team’s research efforts. Enjoy!

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Proceedings of RIKEN BNL Research Center Workshop: Physics Opportunities from the RHIC Isobar Run (Volume 138) [Slides]

This workshop “Physics Opportunities from the RHIC Isobar Run” was held virtually due to the COVID-19 pandemic, with 102 registered participants. We gathered experts from both the experimental and theoretical community to advance our understanding of the physics potential of the isobar dataset by discussing analysis strategies and theoretical predictions. The goal was to explore and identify interesting observables and associated physics which the Isobar Runs can provide. We have identified possible backgrounds and determined the required experimental precisions. Finally, we called for theoretical predictions and interesting isobar species for possible future experiments. We appreciate the effort of, and would like to congratulate, the organizers for conducting a very successful workshop. We also welcome and thank the world-wide participants who attended.

43 PARTICLE ACCELERATORS↗

16 O + 16 O fusion at sub-coulomb energies

A simple optical model (OPM) method using non-monotonic (NM) potentials characterized by a repulsive core from the microscopic theory of the Pauli-led energy-density functional (EDF) has been developed to investigate the 16 O + 16 O fusion at sub-Coulomb energies relevant to the oxygen burning. Here, the study involves the analysis of the experimental fusion cross-section (FCS) data in energy range 6.92 ≤ E cm ≤ 13.83 MeV, which includes the Coulomb barrier region E cm = 10.0–11.92 MeV. Apart from an excellent description of the existing FCS data in the studied energy range, the associated hindrance, characterized by the S-factor reaching a maximum and then gradually falling off at lower energies, so far suggested empirically for the system, is reproduced down to 4 MeV for the first time in the simple OPM. An S-factor maximum of S 0 = 3.15 × 10 25 MeV.b at E 0 = 7.14 MeV is observed with T ≃ 2.6 GK, which conforms to the values reported for quiescent and explosive burning. Our reaction rate, deduced from the NM potential, compares well with the Caughlan and Fowler data. Dominant partial waves implicit in the observed maximum S-factor in the studied Gamow range are also explored. Our present findings, with the success of NM potentials, suggest that the nucleus–nucleus potential is non-monotonic.

16O+16O↗

The interaction of edge dislocations with hydrogen-helium bubbles in tungsten

In fusion reactors, plasmas-facing components undergo degradation due to displacement damage and injection of gas impurities. Significant amounts of hydrogen (H) and helium (He) impurities can be introduced into materials through plasma exposure and nuclear transmutation, and their synergistic effects lead to the formation of mixed He/H bubbles under irradiation, changing their hardening mechanisms. In this study, molecular dynamics (MD) models were developed to study the interaction between ½<111> edge dislocations with mixed He/H-bubbles in W. The critical resolved shear stress (CRSS) that is required for dislocation breakaway increases with He/H-to-vacancy ratio at 600 K, indicating strong pinning effects of mixed He/H bubbles. However, as the temperature increases up to 1400 K, the mixed He/H bubbles become unstable as the H atoms are increasingly emitted from the mixed He/H bubbles and migrate into W matrix, which lowers bubble pressure and CRSS. Overall, these results highlight the synergistic effects of He and H on dislocation behavior in irradiated W during deformation.

36 - MATERIALS SCIENCE↗

On residual stress analysis and microstructural evolution for stainless steel type 304 spent nuclear fuel canisters weld joint: Numerical and experimental studies

Chloride-induced stress corrosion cracking (CISCC) in the weldments of austenitic stainless steel canisters is one of the primary safety concerns during the dry storage of used nuclear fuel at Independent Spent Fuel Storage Installations in coastal areas. In order to evaluate the CISCC behavior in the canister, a 3D sequentially coupled thermo-mechanical finite element model was built to simulate the residual stresses induced by two intersecting longitudinal and circumferential multi-pass welds in austenitic stainless steel mockup canister. Weld-induced residual stresses from simulation were in good agreement with the experimental measurement results by deep-hole drilling and contour methods. Through-wall high tensile axial and hoop stresses were observed in both the fusion zone and heat affected zone (HAZ) in the longitudinal and circumferential weld, respectively. On the other hand, the microstructure within the weldments of 304 stainless steel mockup was characterized using optical microscopy, scanning electron microscopy, electron back-scattered diffraction and energy dispersive X-ray spectroscopy methods. A few amount of MnS inclusions in both the base metal and HAZ, and a lot of (Mn,Si) x O y inclusions in the fusion zone were found. Meanwhile, there is some α'-martensite in the base metal, while the martensite was reversed in the HAZ. In the fusion zone, there is a lot of δ-ferrite. The martensite reversion phenomenon was also verified by the combination of Feritscope test and thermal simulation, which could predict a martensite reversion temperature as 400C°. The welding residual stresses and microstructure analysis results could offer the instructive information for the prediction of CISCC behavior of the spent nuclear fuel canisters.

36 MATERIALS SCIENCE↗

A Novel High Frequency, High Bandwidth, Three Phase Mach Zehnder Optical Data Link [Slides]

Inertial Confinement Fusion (ICF) produces high yield, high bandwidth signals that must be sent over large distances. A three phase Mach Zehnder modulator system helps resolve many of the issues faced with measuring these signals. This setup requires a three step reconstruction program. The testing results from OMEGA show this setup was successful and is ready for fielding at Inertial Confinement Fusion, including the National Ignition Facility (NIF).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Results of Post-Process NDE Using Advanced Techniques on AM Parts

The purpose of this report is to provide an overview of the FY24 activities to apply advanced nondestructive examination (NDE) methods to materials and components produced using advanced manufacturing (AM) processes such as Laser Powder Bed Fusion (LPBF) and Direct Energy Deposition (DED) and assess the challenges of examining these materials to identify defects and microstructure variations. This work was performed as part of the U.S. Department of Energy‘s Office of Nuclear Energy Advanced Materials and Manufacturing Technologies (AMMT) Program. The primary mission of the AMMT program is to develop advanced materials and manufacturing technologies that enable both the current fleet and the next generation of advanced nuclear reactors to operate safely and economically, and to maintain U.S. leadership in technology development for nuclear energy systems.

36 MATERIALS SCIENCE↗

Observation of d(t,n) α Neutrons Following d(d,p)t Reactions in a Deuterium Gas Cell: An Attempt to Repeat Ruhlig’s 1938 Observation of Secondary Reactions

In order to benchmark methods used to calculate reaction-in-flight fusion reactions in inertial confinement fusion and address issues related to the first claimed observation of d(t,n)α reactions in 1938, secondary d(t,n)α reactions have been observed following d(d,p)t reactions in deuterium gas. A pulsed 200-nA, 2.2-MeV deuterium beam from the Triangle Universities Nuclear Laboratory FN tandem accelerator was injected into a cylindrical multiatmosphere deuterium gas target. The incident beam traversed along the target cylinder’s 3-cm symmetry axis after its passage through a Havar entrance foil. Two different Havar foil thicknesses were used to obtain 1.5- and 0.6-MeV deuteron beams entering the deuterium cell. The cylinder’s radius was 2 cm to allow for d(d,p)t tritons emitted perpendicular to the beam to range out in the deuterium gas. The neutron emission from the cell was observed via its time of flight to a liquid scintillator placed at various angles to the beam direction, at a distance of 243 cm. Pulse-shape-discrimination techniques were used to separate neutron and gamma-ray signals seen in the liquid scintillator. The observed probability of ~2 × 10 –4 for inducing secondary d(t,n)α fusion in the gas cell per d(d,p)t reaction is consistent with theoretical expectations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Radiation-Hardened GaN HEMT and Cell Design, Modeling, and Fabrication for Nuclear Instrumentation Applications

Recent advances in nuclear power generation technologies show great promise for efficient, safe generation of carbon-free power in the near future. Consequently, many new generation reactor designs are being pursued by government and industry groups, including both fission- and fusion-based technologies. Radiation- and temperature-tolerant sensor technology continues to advance, yet development of the electronics/instrumentation technologies suitable for these environments have fallen behind. Industry has adequately addressed harsh environment electronics needs for low earth orbit satellites, but the much more extreme conditions associated with electronics placed near or in a reactor core remain unaddressed. This project investigates the use of gallium nitride (GaN) circuit technology to address the unique needs for sensor interface electronics and communications in reactor environments. This report provides a summary of the first year’s project activities related to developing and optimizing devices and circuits for this GaN high electronic mobility transistor (HEMT) process. Activities reported include multiple analog and digital circuit designs simulated using custom Verilog-A models generated from measured GaN devices fabricated in the target process. Digital circuit designs included fundamental logic circuits such as an inverter, NAND, NOR, AND and OR gates, as well as a 5-stage ring oscillator. Each design was simulated using an open-source SPICE simulator, and an integrated circuit layout was produced of each design for use in future fabrication. Analog circuit designs focused on the fundamental building blocks to be used to construct sensor interface and communications circuits. These included current mirrors, matched differential pairs, and a Gilbert cell mixer design, each with an associated integrated circuit layout. Layout tools used for these designs included two open-source packages—KLayout and Magic—which were customized for specific use with the OSU GaN process layers. Design rules and preliminary device extraction capabilities were built for the Magic tool to enable device extraction and subsequent netlist generation for SPICE simulation. Finally, future research directions for year two are summarized. When the year-two directions are implemented, the project will be in position to advance the state of the art in electronics for near- or in-reactor sensor interfacing and communications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Overview of JET results for optimising ITER operation

The JET 2019–2020 scientific and technological programme exploited the results of years of concerted scientific and engineering work, including the ITER-like wall (ILW: Be wall and W divertor) installed in 2010, improved diagnostic capabilities now fully available, a major neutral beam injection upgrade providing record power in 2019–2020, and tested the technical and procedural preparation for safe operation with tritium. Research along three complementary axes yielded a wealth of new results. Firstly, the JET plasma programme delivered scenarios suitable for high fusion power and alpha particle (α) physics in the coming D–T campaign (DTE2), with record sustained neutron rates, as well as plasmas for clarifying the impact of isotope mass on plasma core, edge and plasma-wall interactions, and for ITER pre-fusion power operation. The efficacy of the newly installed shattered pellet injector for mitigating disruption forces and runaway electrons was demonstrated. Secondly, research on the consequences of long-term exposure to JET-ILW plasma was completed, with emphasis on wall damage and fuel retention, and with analyses of wall materials and dust particles that will help validate assumptions and codes for design and operation of ITER and DEMO. Thirdly, the nuclear technology programme aiming to deliver maximum technological return from operations in D, T and D–T benefited from the highest D–D neutron yield in years, securing results for validating radiation transport and activation codes, and nuclear data for ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Coulomb field correction due to virtual $e$ + $e$ - production in heavy ion collisions

The correction to the Coulomb energy due to virtual production of $e$ + $e$ - pairs, which is on the order of one percent of the Coulomb energy at nuclear scales is discussed. The effects of including a pair-production term in the semi-empirical mass formula and the correction to the Coulomb barrier for a handful of nuclear collisions using the Bass and Coulomb potentials are studied. Furthermore, with an eye toward future work using Constrained Molecular Dynamics (CoMD) model, we also calculate the correction to the Coulomb energy and force between protons after folding with a Gaussian spatial distribution.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Report on the Assessment of Ion Irradiations on High Entropy Alloys

Idaho National Laboratory (INL) initiated a joint international effort with the Czech Republic to explore the feasibility of manufacturing High Entropy Alloys for high-temperature nuclear applications using Additive Manufacturing. This effort was funded at INL by the United States Department of Energy’s Office of Nuclear Energy under the Advanced Reactor Technologies and Advanced Materials and Manufacturing Technologies (AMMT) Program. The High Entropy Alloys were specifically designed for the corrosive and irradiation environments as experienced in gas fast reactors, molten salt reactors, and fusion power. These alloys were manufactured by multiple processes to determine the impact of manufacturing processes on the performance of the alloys in corrosive and irradiation environments. Preliminary results show that MoNbTiV and MoNbTi alloys exhibit no degradation after multiple corrosion tests. These MoNbTiV and MoNbTi alloys were also evaluated after irradiation experiments were conducted at the Michigan Ion Beam Laboratory at the University of Michigan, which is the focus of this milestone report. For these irradiation experiments, the MoNbTiV and MoNbTi alloys manufactured by arc melting and Electric Field Assisted Sintering (EFAS) were tested at 500 C at a dose of 30 dpa to evaluate the microstructural stability and decomposition.

36 - MATERIALS SCIENCE↗

Final design of outer poloidal field coils for COMPASS Upgrade

The paper aims to provide an overview of the final design of the outer poloidal field coils system for COMPASS Upgrade. Due to a relatively unique combination of design features of the new device (placement in high toroidal magnetic field, copper coils sub-cooled to liquid nitrogen temperature, hot vacuum vessel operation), the poloidal field coils design faced several interesting engineering challenges. Most notably high electromagnetic stress in the coil conductor, compatibility of the insulation to thermal and mechanical stress and design of coil supports with given spatial constraints while able to accommodate coil movements and withstand considerable mechanical stress. In conclusion, the paper describes solution to these challenges together with underlying analyses and mechanical tests.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Investigation on laser absorption and x-ray radiation in microstructured titanium targets heated by short-pulse relativistic laser pulses

The enhancement effect of a microstructured surface on laser absorption and characteristic K α emission has been investigated by measuring K-shell emission from titanium (Ti) targets irradiated with high-intensity ( ∼ 10 20 W cm − 2 ), subpicosecond (500 fs) laser pulses. The experimental results indicate a modest enhancement ( 1.6 × ) of K α emission from microstructured targets compared to flat foils, but with a similar intensity and profile of He α and Li-like satellites. Particle-in-cell (PIC) simulations are implemented to further understand the underlying physical processes in the laser interaction with both targets, interpreting the mechanisms responsible for the K α enhancement. The reasons for the lower-than-expected enhancement of K α emission are discussed. The rapid heating of the bulk plasma might result in the premature shutdown of K α emission before the thermalization of hot electrons or even the end of laser pulses, suggesting that the use of K α emission as a diagnostic of the hot-electron yield or relaxation could lead to a misinterpretation. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Design of a multi-detector, single line-of-sight, time-of-flight system to measure time-resolved neutron energy spectra

In the dynamic environment of burning, thermonuclear deuterium–tritium plasmas, diagnosing the time-resolved neutron energy spectrum is of critical importance. Strategies exist for this diagnosis in magnetic confinement fusion plasmas, which presently have a lifetime of ~10 12 longer than inertial confinement fusion (ICF) plasmas. In this work, we present a novel concept for a simple, precise, and scale-able diagnostic to measure time-resolved neutron spectra in ICF plasmas. The concept leverages general tomographic reconstruction techniques adapted to time-of-flight parameter space, and then employs an updated Monte Carlo algorithm and National Ignition Facility-relevant constraints to reconstruct the time-evolving neutron energy spectrum. Reconstructed spectra of the primary 14.028 MeV n DT peak are in good agreement with the exact synthetic spectra. The technique is also used to reconstruct the time-evolving downscattered spectrum, although the present implementation shows significantly more error.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Corrosion testing needs and considerations for additively manufactured materials in nuclear reactors

Metal additive manufacturing holds significant promise as an enabling technology for the 21st century nuclear energy industry. Metal additive manufacturing (MAM) can allow the fabrication of novel materials and innovative component designs that are not achievable through conventional manufacturing. Due to its very different fabrication methods, as-fabricated MAM components are characteristically different from conventionally manufactured components. MAM materials exhibit very different microstructures from conventional cast or wrought materials. For example, austenitic stainless steels fabricated by laser powder bed fusion exhibit columnar grain structures, dislocation cell structures, and melt pool fingerprints. In addition, MAM fabrication may result in defects such as porosity, incomplete processing of the feedstock (e.g., lack of fusion in melt-based methods), and oxide inclusions. Heat treatments may further evolve the microstructure, microsegregation, and stresses within the component. Furthermore, MAM components have a rough surface with feature sizes on the order of the feedstock material, as opposed to smooth surfaces resulting from conventional machining and forming operations. As a result, the corrosion behavior of MAM components will likely be significantly different from that of conventionally formed components. Corrosive environments for structural materials within advanced reactor environments include molten fluoride and chloride salts, liquid sodium and lead-bismuth, and high-temperature helium. The Advanced Materials and Manufacturing Technologies program within the Department of Nuclear Energy in the United States Department of Energy is assessing the unique concerns of MAM component corrosion and testing methodologies in advanced nuclear reactor environments. We discuss these concerns and testing strategies in this paper.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗