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NASA University Program Management Information System

As basic policy, NASA believes that colleges and universities should be encouraged to participate in the nation's space and aeronautics program to the maximum extent practicable. Indeed, universities are considered as partners with government and industry in the nation's aerospace program. NASA:s objective is to have them bring their scientific, engineering, and social research competence to bear on aerospace problems and on the broader social, economic, and international implications of NASA's technical and scientific programs. It is expected that, in so doing, universities will strengthen both their research and their educational capabilities to contribute more effectively to the national well-being. NASA field codes and certain Headquarters program offices provide funds for those activities in universities which contribute to the mission needs of that particular NASA element. Although NASA has no predetermined amount of money to devote to university activities, the effort funded each year is substantial. This annual report is one means of documenting the NASA-university relationship, frequently denoted, collectively, as NASA's University Program. This report is consistent with agency accounting records, as the data is obtained from NASA:s Financial and Contractual Status (FACS) System, operated by the Financial Management Division and the Procurement Office. However, in accordance with interagency agreements, the orientation differs from that required for financial or procurement purposes. Any apparent discrepancies between this report and other NASA procurement or financial reports stem from the selection criteria for the data.* This report was prepared by the Education Division/FE, Office of Human Resources and Education, using a management information system which was modernized during FY 1993.

Source record↗

Calculation of Dose Deposition in 3D Voxels by Heavy Ions

The biological response to high-LET radiation is very different from low-LET radiation, and can be partly attributed to the energy deposition by the radiation. Several experiments, notably detection of gamma-H2AX foci by immunofluorescence, has revealed important differences in the nature and in the spatial distribution of double-strand breaks (DSB) induced by low- and high-LET radiations. Many calculations, most of which are based on amorphous track models with radial dose, have been combined with chromosome models to calculate the number and distribution of DSB within nuclei and chromosome aberrations. In this work, the Monte-Carlo track structure simulation code RITRACKS have been used to calculate directly the energy deposition in voxels (3D pixels). A cubic volume of 5 micrometers of side was irradiated by 1) 450 (1)H+ ions of 300 MeV (LET is approximately 0.3 keV/micrometer) and 2) by 1 (56)Fe26+ ion of 1 GeV/amu (LET is approximately 150 keV/micrometer). In both cases, the dose deposited in the volume is approximately 1 Gy. All energy deposition events are recorded and dose is calculated in voxels of 20 micrometers of side. The voxels are then visualized in 3D by using a color scale to represent the intensity of the dose in a voxel. This simple approach has revealed several important points which may help understand experimental observations. In both simulations, voxels which receive low dose are the most numerous, and those corresponding to electron track ends received a dose which is in the higher range. The dose voxels are distributed randomly and scattered uniformly within the volume irradiated by low-LET radiation. The distribution of the voxels shows major differences for the (56)Fe26+ ion. The track structure can still be seen, and voxels with much higher dose are found in the region corresponding to the track "core". These high-dose voxels are not found in the low-LET irradiation simulation and may be responsible for DSB that are more difficult to repair. By applying a threshold on the dose visualization, voxels corresponding to electron track ends are evidenced and the spatial distribution of voxels is very similar to the distribution of DSB observed in gamma H2AX experiments, even if no chromosomes have been included in the simulation. Furthermore, this work has shown that a significant dose is deposited in voxels corresponding to electron track ends. Since some delta-rays from iron ion can travel several millimeters, they may also be of radiobiological importance.

Plante, Ianik↗

Analysis of MSL/MEDLI Entry Data with Coupled CFD and Material Response

The Mars Science Laboratory (MSL) was protected during its atmospheric entry by an instrumented heatshield using NASA's Phenolic Impregnated Carbon Ablator (PICA) material [1]. PICA is a lightweight carbon fiber/polymeric resin material that offers outstanding performances for protecting probes during planetary entry. The Mars Entry Descent and Landing Instrument (MEDLI) suite on MSL offers unique in-flight validation data for models of material response and atmospheric entry. MEDLI recorded, among other things, time-resolved in-depth temperature data of PICA using thermocouple sensors assembled in the MEDLI Integrated Sensor Plugs (MISP) [2]. The objective of this work is to showcase and analyze the coupling between the material response and the aerothermal environment. As shown in Figure 1, the workflow is divided into the following steps. First, the aerothermal properties are computed in the Data Parallel Line Relaxation (DPLR) code [3] and used with the Nonequilibrium air radiation (NEQAIR) program [8] to compute radiative heating. Second, the thermal response inside the material is computed in the Porous material Analysis Toolbox based on OpenFOAM (PATO) [4,5,6] using a fixed blowing correction parameter. Third, the pyrolysis gases computed in PATO are used as inputs to a blowing boundary condition within DPLR. Fourth, the new environment properties from DPLR are used in NEQAIR to provide an updated solution, then both the updated aerothermal environment and radiative heating are used in PATO without blowing correction. The third and fourth steps are then repeated until convergence in surface temperature is obtained. Convergence in the radiative heating is generally achieved before surface temperature, at which point the radiative heating is no longer updated. Char mass loss rates are forced to zero to produce a non-receding surface condition. For early time points in the trajectory, where flow around the MSL aeroshell is rarefied, the Direct Simulation Monte Carlo (DSMC) code, SPARTA [7], is used to compute the aerothermal environment. Iteration between PATO and SPARTA is not performed due to the computational cost of DSMC simulations. Preliminary results of the coupling between PATO and DPLR for the MSL heatshield atmospheric entry model are presented in Figures 2-4 at 65 seconds after entry interface. Figure 2 shows the surface temperature results from an uncoupled simulation in PATO with the blowing correction parameter applied (left) along with the coupled surface temperature after iteration (right). Figure 3 shows the surface temperature along the centerline from windward to leeward for easier comparison. Figure 4 shows the coupled and uncoupled pyrolysis gas blowing rate. Mars 2020 used a similar heatshield consisting of PICA for thermal protection during entry, descent, and landing. In preparation for Mars 2020 post-flight analysis, the predictive material response capability is benchmarked against flight data from MEDLI. This work represents an important milestone toward the development of validated predictive capabilities for designing thermal protection systems for planetary probes.

Thermal Protection Systems↗

Effects of secondary yield parameter variation on predicted equilibrium potential of an object in a charging environment

The sensitivity of predicted equilibrium potential to changes in secondary electron yield parameters was investigated using MATCHG, a simple charging code which incorporates the NASCAP material property formulations. The equilibrium potential was found to be a sensitive function of one of the two parameters specifying secondary electron yield due to proton impact and of essentially all the parameters specifying yield due to electron impact. The information on the electron generated secondary yield parameters was discovered to be obtainable from monoenergetic beam charging data if charging rates as well as equilibrium potentials are accurately recorded.

Purvis, C. K.↗

Shock tube investigation of dynamic response of pressure transducers for validation of rotor performance measurements

For some time now, NASA has had a program under way to aid in the validation of rotor performance and acoustics codes associated with the UH-60 rotary-wing aircraft; and to correlate results of such studies with those obtained from investigations of other selected aircraft rotor performance. A central feature of these studies concerns the dynamic measurement of surface pressure at various locations up to frequencies of 25 KHz. For this purpose, fast-response gauges of the Kulite type are employed. The latter need to be buried in the rotor; they record surface pressures which are transmitted by a pipette connected to the gauge. The other end of the pipette is cut flush with the surface. In certain locations, the pipette configuration includes a rather sharp right-angle bend. The natural question has arisen in this connection: In what way are the pipettes modifying the signals received at the rotor surface and subsequently transmitted to the sensitive Kulite transducer element. The basic details and results of the program performed and recently completed in the High Pressure Shock Tube Laboratory of the Department of Aeronautics and Astronautics at Stanford University are given.

Bershader, Daniel↗

GPS Ocean Reflection Experiment on Spartan 251

It has recently been demonstrated that the GPS signal which has reflected from the ocean surface contains useful geophysical data from which the sea surface wind speed and other parameters can be extracted. This can be used for remote sensing, similar to present day use of radar altimeters or scatterometers, but with significantly smaller instrumentation because of the utilization of the existing GPS broadcast signal for illumination. Several campaigns of aircraft experimentation have been completed demonstrating this technique and reflected GPS data has been reliably collected from 25 km altitude on a balloon. However, there has not yet been a demonstration that the reflected GPS signal can be detected from orbit with sufficient signal to noise ratio (SNR) to make useful remote sensing measurements. A technology demonstration experiment was planned for a Space Shuttle flight in the late 2000 using the Spartan 251 recoverable carrier. This experiment would also have been the first flight validation of the PiVoT GPS receiver developed in house at the Goddard Space Flight Center. The "open-architecture" design of this receiver would allow the software modifications to be made which control code-correlator spacing to map out the shape of the reflected signal waveform, which is the most basic data product generated by this instrumentation. A moderate gain left-hand circularly polarized antenna, constructed from an array of off-the-shelf hemispherical antennas was to be used to give approximately 3 to 6 dB of additional gain. Preliminary SNR predictions have been done indicating that this antenna would offer sufficient gain to record waveform measurements. A system level description of the experiment instrumentation, including the receiver, antenna and data storage and retrieval will be given. The visibility of GPS reflections over the mission duration of several hours will be studied, including the effects of the limited beamwidth of the antenna. Spartan 251 has now been postponed with the earliest opportunity in the year 2002. The results of this study however, have been 2 used to further the define the requirements and expected performance of reflected GPS receivers in orbit. Several other space flight opportunities are being considered based upon this new information.

Garrison, James L↗

An Architectural Survey of the REECo Maintenance Compound, Area 6, Nevada National Security Site, Nye County, Nevada

The U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Field Office (NNSA/NFO) plans to install a 26.45-mile-long 138-kilovolt (kV) transmission line on the Nevada National Security Site (NNSS) in Nye County, Nevada. This new transmission line will upgrade the electrical transmission system and provide reliable power between Mercury Switching Station in Area 23 and the U1a Facility in Area 1. The proposed upgrade to the power transmission system constitutes an undertaking subject to review under Section 106 of the National Historic Preservation Act (NHPA) (54 United States Code [USC] § 306101) and its implementing regulations, 36 Code of Federal Regulations (CFR) Part 800. A portion of this new transmission line will cross the western perimeter of the Reynolds Electrical and Engineering Company (REECo) Maintenance Compound located in Area 6 of the NNSS. This compound with its trade shops, storage sheds, and yards served as a general construction facility that supported nuclear testing activities on the NNSS from 1967 to 1992. Although three architectural resources in the compound have previously been recorded and evaluated for the National Register of Historic Places (NRHP), other resources within it have not, nor has the compound been recorded and evaluated as a potential district. The State Historic Preservation Officer (SHPO) concurred with NNSA/NFO’s determination that the unevaluated REECo Maintenance Compound will be adversely affected by the proposed undertaking (Reed 2021). The NNSA/NFO, in consultation with the SHPO, then developed the Memorandum of Agreement DE-GM58-22NA25553 between the U.S. Department of Energy and the Nevada State Historic Preservation Officer Regarding Installation of a 138-kilovolt Transmission Line from the Mercury Switching Station to the U1a Facility and the Removal of the Historic 138-kilovolt Transmission Line from the Mercury Switching Station to the U1a Facility in Areas 1, 3, 5, 6, and 23 of the Nevada National Security Site, Nye County, hereafter referred to as the MOA. This architectural survey report was prepared in accordance with MOA Stipulation III.B. It describes the origins, history, layout, and functions of the REECo Maintenance Compound during the Cold War and identifies contributing and noncontributing resources. The report defines a district boundary based on archival research and the field survey and concludes with an appendix that presents digital color images of the compound with descriptions and a map key showing image viewpoints and directions. Although none of the architectural resources are recommended individually eligible, the district evaluation concludes the REECo Maintenance Compound is eligible as a historic district for listing in the NRHP under the Secretary of the Interior’s Significance Criteria A and C at the local level. The historic district retains all seven aspects of integrity and conveys its significance under the abovementioned criteria.

138 kV↗

Decision Engines for Software Analysis Using Satisfiability Modulo Theories Solvers

The area of software analysis, testing and verification is now undergoing a revolution thanks to the use of automated and scalable support for logical methods. A well-recognized premise is that at the core of software analysis engines is invariably a component using logical formulas for describing states and transformations between system states. The process of using this information for discovering and checking program properties (including such important properties as safety and security) amounts to automatic theorem proving. In particular, theorem provers that directly support common software constructs offer a compelling basis. Such provers are commonly called satisfiability modulo theories (SMT) solvers. Z3 is a state-of-the-art SMT solver. It is developed at Microsoft Research. It can be used to check the satisfiability of logical formulas over one or more theories such as arithmetic, bit-vectors, lists, records and arrays. The talk describes some of the technology behind modern SMT solvers, including the solver Z3. Z3 is currently mainly targeted at solving problems that arise in software analysis and verification. It has been applied to various contexts, such as systems for dynamic symbolic simulation (Pex, SAGE, Vigilante), for program verification and extended static checking (Spec#/Boggie, VCC, HAVOC), for software model checking (Yogi, SLAM), model-based design (FORMULA), security protocol code (F7), program run-time analysis and invariant generation (VS3). We will describe how it integrates support for a variety of theories that arise naturally in the context of the applications. There are several new promising avenues and the talk will touch on some of these and the challenges related to SMT solvers. Proceedings

Bjorner, Nikolaj↗

4D Light Field Imaging System Using Programmable Aperture

Complete depth information can be extracted from analyzing all angles of light rays emanated from a source. However, this angular information is lost in a typical 2D imaging system. In order to record this information, a standard stereo imaging system uses two cameras to obtain information from two view angles. Sometimes, more cameras are used to obtain information from more angles. However, a 4D light field imaging technique can achieve this multiple-camera effect through a single-lens camera. Two methods are available for this: one using a microlens array, and the other using a moving aperture. The moving-aperture method can obtain more complete stereo information. The existing literature suggests a modified liquid crystal panel [LC (liquid crystal) panel, similar to ones commonly used in the display industry] to achieve a moving aperture. However, LC panels cannot withstand harsh environments and are not qualified for spaceflight. In this regard, different hardware is proposed for the moving aperture. A digital micromirror device (DMD) will replace the liquid crystal. This will be qualified for harsh environments for the 4D light field imaging. This will enable an imager to record near-complete stereo information. The approach to building a proof-ofconcept is using existing, or slightly modified, off-the-shelf components. An SLR (single-lens reflex) lens system, which typically has a large aperture for fast imaging, will be modified. The lens system will be arranged so that DMD can be integrated. The shape of aperture will be programmed for single-viewpoint imaging, multiple-viewpoint imaging, and coded aperture imaging. The novelty lies in using a DMD instead of a LC panel to move the apertures for 4D light field imaging. The DMD uses reflecting mirrors, so any light transmission lost (which would be expected from the LC panel) will be minimal. Also, the MEMS-based DMD can withstand higher temperature and pressure fluctuation than a LC panel can. Robotics need near complete stereo images for their autonomous navigation, manipulation, and depth approximation. The imaging system can provide visual feedback

Bae, Youngsam↗

Mapping of Spacecraft Atmosphere Monitor Signal to Major Constituent Abundances

The Spacecraft Atmosphere Monitor (S.A.M.) follows the JPL’s commitment to introduce and develop next-generation instrumentation concepts for sensing the air quality on manned space flights via continuous sampling, measuring, and reporting in 2s intervals on all gaseous pollutants. The S.A.M. will have two modes of operation: the Major Constituent Analysis (MCA) mode and the Trace Gas Analysis (TGA) mode. The MCA mode will report on molecular analytes such as CH4, H2O, N2, O2, Ar, and CO2 while the TGA mode will acquire minute amounts of volatile organic compounds. Both modes assess the composition of the ambient air with twenty full mass spectra per second giving rise to a substantial amount of data to be processed by a set of small footprint software stacks hosted by an on-board computer. Mass spectra will be accumulated as the number of counts recorded in a given mass-to-charge channel and converted into the absolute abundances of detected species using an efficient algorithm. The decomposition algorithm contains four units: peak identification, mass calibration, background and dead time correction, and an abundance analysis unit. The abundance analysis module identifies target species through their characteristic fragmentation patterns in the presence of molecular isobars, such as CO and N2. For example, in order to identify N2 analyte, the code will simultaneously monitor abundance ratios of the 14, 28 and 29 Th signals and will adapt to any instability caused by a decrease in ambient pressure or changes in humidity. This requirement becomes critical for instruments designed to monitor the near real-time quality of cabin air and promptly provide accurate feedbacks.

Nikolic, D.↗

The Seismic Signatures of Recently Formed Impact Craters on Mars

We investigated the seismic signatures of recent impact crater clusters on Mars that would be recorded by the Interior Exploration using Seismic Investigations, Geodesy and Heat Transport (InSight)seismometers. We used a database of 77 measured and dated impact sites, with craters with diameters between 2.1 and 33.8 m, along with inferred impact angle, bolide trajectory, and varying target material properties to empirically scale for the momentum, expected seismic source function, and radiation pattern of impacts. The impact source is simulated in a local 3‐Dfinite difference wave propagation code and coupled to teleseismic distances by scaling the spectra of 1‐D global synthetic seismograms. We use the InSight seismometer noise floors to estimate detectability of impact(s) across azimuth and distance. Our experiments reveal that impact clusters have a higher peak corner frequency resulting from energy contributed by smaller craters to the power spectrum. We also find that the time separation between individual impacts in a cluster is small (<10–15 ms) and requires a seismometer closely situated to the source (<10 km) and a high sampling rate (>100 Hz) to resolve individual impacts within the cluster. Two of the clusters in our database(>20‐m effective diameter) would have been detectable by InSight, with the assumptions that the Martian background noise and seismic attenuation are both low. Joint detection of surface changes from newly formed crater(s) in images and by InSight will provide precise source locations that are crucial for constraining the internal structure of Mars

N. C. Schmerra↗

Risk Characterization Research for Artemis II: Human Factors and Behavioral Performance

BACKGROUND Artemis II will be the first time NASA astronauts go beyond low-Earth orbit (LEO) since the Apollo era, and the first astronauts heading into space in the Orion vehicle. As such, it provides a critical opportunity to refine our understanding of the likelihood and consequences associated with the Behavioral Medicine (BMed), Team, Human System Integration Architecture (HSIA), and Sleep Risks, and prepare for future Moon and Mars missions. However, Artemis II research efforts are uniquely shaped by in-mission data collection constraints. There is currently no in-mission crew time available to complete measures. In-mission data will need to be collected unobtrusively from available data streams (e.g., audiovisual, existing records such as schedules, and actigraphy). Accordingly, the overarching goal of our research is to utilize Artemis II data to further define the likelihood and consequences of these risks, and to create an unobtrusive research infrastructure that can be expanded to include future Artemis missions. This goal spans four aims across three research phases: (1) identify and operationally define key performances metrics and constructs across the four aforementioned risks, (2) develop an unobtrusive methodology and coding scheme for in-mission data collection, (3) characterize performance decrements due to Bmed, Team, HSIA, and Sleep Risks, and (4) develop a data infrastructure for future Artemis missions. The following details results of Phase I efforts in which we address Aims 1 and 2 to develop an unobtrusive measurement plan and coding scheme to capture key constructs, contributing factors, and performance decrements across each risk area. METHOD As part of Phase I, we conducted an interdisciplinary literature review and consulted with SMEs to identify unobtrusive methodologies that leverage text, audio, and/or video data as well as conceptualize key performance metrics, contributing factors, and BMed, Team, HSIA, and Sleep risk constructs related to performance decrements. The Phase I effort resulted in a finalized pre- and post-mission protocol for Artemis II, along with a measurement and coding scheme for in-mission Artemis II data. Phase II will involve data collection from the upcoming Artemis II mission. Phase III will include data processing, coding, depiction, analysis, and report writing of the Artemis II data. RESULTS & DISCUSSION To date, we have completed Phase I efforts. Specifically, we identified BMed, Team, HSIA, and Sleep risk constructs related to performance metrics, summarized how these constructs can be measured using audiovisual data collected during the mission, and worked with NASA’s HFBP Element to finalize a data collection protocol that leverages audiovisual input from the Orion spacecraft system. Our protocol includes novel unobtrusive methodologies that adhere to in-mission data streams and subsequent constraints (e.g., limited storage space on GoPro cameras, ambient noise impeding audio files) to best capture in-mission phenomena across each risk area. We will present our results from Phase I efforts, namely best practices for unobtrusive measurement as identified through literature reviews and SME consultation as well as codebook excerpts for use in Artemis II. We will include a description of planned work as we prepare for Phase II and Phase III of this research plan and the Artemis II mission itself. SUMMARY We describe progress on our Human Factors and Behavioral Performance Research for Artemis II study.

behavioral health↗

Prescribed fires, smoke exposure, and hospital utilization among heart failure patients

Abstract Background Prescribed fires often have ecological benefits, but their environmental health risks have been infrequently studied. We investigated associations between residing near a prescribed fire, wildfire smoke exposure, and heart failure (HF) patients’ hospital utilization. Methods We used electronic health records from January 2014 to December 2016 in a North Carolina hospital-based cohort to determine HF diagnoses, primary residence, and hospital utilization. Using a cross-sectional study design, we associated the prescribed fire occurrences within 1, 2, and 5 km of the patients’ primary residence with the number of hospital visits and 7- and 30-day readmissions. To compare prescribed fire associations with those observed for wildfire smoke, we also associated zip code-level smoke density data designed to capture wildfire smoke emissions with hospital utilization amongst HF patients. Quasi-Poisson regression models were used for the number of hospital visits, while zero-inflated Poisson regression models were used for readmissions. All models were adjusted for age, sex, race, and neighborhood socioeconomic status and included an offset for follow-up time. The results are the percent change and the 95% confidence interval (CI). Results Associations between prescribed fire occurrences and hospital visits were generally null, with the few associations observed being with prescribed fires within 5 and 2 km of the primary residence in the negative direction but not the more restrictive 1 km radius. However, exposure to medium or heavy smoke (primarily from wildfires) at the zip code level was associated with both 7-day (8.5% increase; 95% CI = 1.5%, 16.0%) and 30-day readmissions (5.4%; 95% CI = 2.3%, 8.5%), and to a lesser degree, hospital visits (1.5%; 95% CI: 0.0%, 3.0%) matching previous studies. Conclusions Area-level smoke exposure driven by wildfires is positively associated with hospital utilization but not proximity to prescribed fires.

Raab, Henry↗

A Simulator for Neyer Tests of Explosives

Explosives and explosive devices such as detonators are typically tested by applying a range of stimuli such as voltage or mechanical shock, and recording binary “detonated/did not detonate” responses. These are analyzed using maximum likelihood or generalized linear models to provide estimates of quantities such as the all-fire and no-fire points. Given that the true threshold for detonation is unknown a priori , sequential design methods are typically used to optimize the set of test points. One popular method, implemented in commercial software, is Neyer’s algorithm. To support simulation and experimental design, we have developed code in the R programming language to duplicate the functions of the Neyer software. We provide code for the simulator along with a description and examples of usage.

42 ENGINEERING↗

Effects of secondary yield parameter variation on predicted equilibrium potential of an object in a charging environment

A study is presented in which the sensitivity of predicted equilibrium potential to changes in secondary electron yield parameters is investigated using MATCHG, a simple charging code which incorporates the NASCAP material property formulations. It is found that equilibrium potential is a sensitive function of one of the two parameters specifying secondary electron yield due to proton impact and of essentially all the parameters specifying yield due to electron impact. In addition, it is found that information on the electron generated secondary yield parameters can be obtained from monoenergetic beam charging data if charging rates as well as equilibrium potentials are accurately recorded.

Purvis, C. K.↗

Preliminary airborne measurements for the SR-71 sonic boom propagation experiment

SR-71 sonic boom signatures were measured to validate sonic boom propagation prediction codes. An SR-71 aircraft generated sonic booms from Mach 1.25 to Mach 1.6, at altitudes of 31,000 to 48,000 ft, and at various gross weights. An F-16XL aircraft measured the SR-71 near-field shock waves from close to the aircraft to more than 8,000 ft below, gathering 105 signatures. A YO-3A aircraft measured the SR-71 sonic booms from 21,000 to 38,000 feet below, recording 17 passes. The sonic booms at ground level and atmospheric data were recorded for each flight. Data analysis is underway. Preliminary results show that shock wave patterns and coalescence vary with SR-71 gross weight, Mach number, and altitude. For example, noncoalesced shock wave signatures were measured by the YO-3A at 21,000 ft below the SR-71 aircraft while at a low gross weight, Mach 1.25, and 31,000-ft altitude. This paper describes the design and execution of the flight research experiment. Instrumentation and flight maneuvers of the SR-71, F-16XL, and YO-3A aircraft and sample sonic boom signatures are included.

Haering, Edward A., Jr.↗

Full configuration interaction simulations of exchange-coupled donors in silicon using multi-valley effective mass theory

Abstract Donor spins in silicon have achieved record values of coherence times and single-qubit gate fidelities. The next stage of development involves demonstrating high-fidelity two-qubit logic gates, where the most natural coupling is the exchange interaction. To aid the efficient design of scalable donor-based quantum processors, we model the two-electron wave function using a full configuration interaction method within a multi-valley effective mass theory. We exploit the high computational efficiency of our code to investigate the exchange interaction, valley population, and electron densities for two phosphorus donors in a wide range of lattice positions, orientations, and as a function of applied electric fields. The outcomes are visualized with interactive images where donor positions can be swept while watching the valley and orbital components evolve accordingly. Our results provide a physically intuitive and quantitatively accurate understanding of the placement and tuning criteria necessary to achieve high-fidelity two-qubit gates with donors in silicon.

Joecker, Benjamin (ORCID:0000000302635440)↗

Correcting the PFNS for more consistent fission modeling

For FY20, we had a deliverable to write a report detailing efforts to simultaneously evaluate both the prompt neutron multiplicity, $\overline{ν}$, and the prompt neutron fission neutron spectrum, PFNS, using CGMF. CGMF is the LANL-developed fission fragment decay code that consistently evaporates prompt neutrons and γ rays using the Hauser-Feshbach statistical theory of compound reactions. The decay begins by constructing the initial conditions of the fission fragments, then decaying each one from the excited state by neutrons and γ rays, conserving energy, momentum, spin, and parity in each step of the emission. The initial conditions of the fragments, along with the multiplicity, energy, and direction of each emitted neutron or γ ray, are recorded, allowing for the full reconstruction of the fission event. These event histories allow us to reconstruct average quantities, as well as correlations between observables, that can be compared with experimental or evaluated data. In that initial report, although there was already a favorable comparison between $\overline{ν}$ from CGMF, experiment, and the current ENDF/B-VIII.0 evaluation, we showed that there was still significant work to be done to improve the PFNS from CGMF. Historically, the PFNS is calculated too soft by Hauser-Feshbach fission models, and CGMF is no exception. The incorrect shape presents a significant challenge in fission modeling, including for our understanding of the fission process and for our ability to consistently calculate and predict a variety of prompt fission observables (such as fission fragment initial conditions, neutron and γ-ray multiplicities and energies, and the correlations between all observables). In our companion report, we detail our success in using CGMF to evaluate $\overline{ν}$. Although not included in the optimization explicitly, we also keep the initial conditions of the fission fragments physical, along with reproducing reasonably well the neutron multiplicity distribution. As we would expect from the sensitivities calculations from, the average neutron energies change very little from the $\overline{ν}$ optimization along with the PFNS (as will be shown in Sec. 2.6). The conclusion was that the global and statistical models would have to be investigated instead of just the fission fragment initial conditions (as is sufficient for $\overline{ν}$). This report details those efforts.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗