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Data Assimilation and Data Fusion for Planetary Atmospheres

The overarching goal of this Cooperative Agreement was to develop a model and procedures for the data assimilation of planetary spacecraft atmospheric observations. Data assimilation - in its application to weather analysis and prediction - is the process of finding an initial state of the meteorological variables (winds, temperatures, pressures, etc.) of an atmosphere, which, when propagated forward in time using a deterministic general circulation model, reproduces all of the available observations over that time to within the measurement and computational errors. With this definition, data assimilation is seen to be a natural extension of well-known least-squares minimization techniques. The primary complication arises from the scale of the problem: For the Martian atmosphere with the available nadir-viewing Thermal Emission Spectrometer data from Mars Global Surveyor, approximately 1,000,000 individual measurements of channel radiances (in the 15-micrometer region, where these radiances relate directly to the surface and atmospheric temperature) were made per day. A suitable general circulation model for dealing with this data set has on the order of 20,000 independent variables. After some spatial and temporal averaging of the data - which provides a necessary statistical estimate of the representativeness of the measurements, a crucial issue in data assimilation - the problem reduces in scale to the solution of approximately 50,000 equations for the 20,000 variables.

Houben, Howard↗

Advancing Protein Display on Bacterial Spores through an Extensive Survey of Coat Components

The profound stability of bacterial spores makes them a promising platform for biotechnological applications like biocatalysis, bioremediation, drug delivery, etc. However, though the Bacillus subtilis spore is composed of >40 types of proteins, only ∼12 have been explored as fusion carriers for protein display. Here, we assessed the suitability of 33 spore proteins (SPs) as enzyme display carriers by direct allele tagging at native genomic loci. Of the 33 SPs investigated, 26 formed functional fusions with β-glucuronidase (GUS)─a ∼272 kDa homotetramer. This almost triples the number of SPs assessed for enzyme display and doubles the number of functional fusions documented in the literature. We quantitatively assessed 1) SP promoter activation dynamics, 2) GUS activity on spores, 3) surface availability, and 4) protection from thermal and proteolytic degradation. Multicopy expression and pairwise coexpression of the most promising SP-GUS fusions highlighted the complexity of spore structure/assembly and the difficulty in predicting compatibility between different SP fusions. We also assessed the suitability of engineered spores to degrade PET (polyethylene terephthalate) films and found that surface-exposed SPs were most effective. Beyond the broad survey, a key outcome of our work was the identification of SscA (small spore coat assembly protein A) as an effective spore display carrier. SscA supported enzyme activity at least 4-fold higher than any other SP, including the well-established anchor, CotY. We attribute this to its promoter, which demonstrated early and sustained activation relative to other SPs and its small size (∼3 kDa), which likely minimally interferes with enzyme folding, oligomerization, and activity. Labeling and genetic studies, its hydrophobic nature, and low surface availability suggest that SscA assembles within the inner spore coat, which makes it stabilizing and suitable for many biocatalytic applications. Overall, this work serves as a knowledge base to advance the biotechnological utility of B. subtilis spores.

Bacillus subtilis↗

Comprehensive Analysis of Streaming and Shutdown Dose Rate Experiments at JET with ORNL Fusion Neutronics Workflows

Current experimental fusion systems and conceptual designs of fusion pilot plants (FPPs) are growing in complexity and size. Several radiation metrics are crucial to the safe operation of fusion machines, including neutron flux streaming through openings and the shutdown dose rate (SDDR). Most current designs of advanced experimental fusion systems—and the most probable candidates for FPPs—are based on the tokamak concept, which is prone to neutron streaming through the myriad openings needed for diagnostic and support systems. SDDR is caused by decay gamma rays from radionuclides that become activated by neutrons during the operation of a fusion system that use deuterium-deuterium (DD), tritium-tritium, or deuterium-tritium plasma. Because computational tools have become essential for determining these radiation metrics, they must be validated against reliable and applicable experimental data. Experiments at the Joint European Torus (JET) provide a unique source of experimental data for validating computational tools and nuclear data used to determine SDDR and neutron fluxes in streaming-dominated geometries. Here, this paper presents the comprehensive analysis of the high-performance DD JET SDDR, and streaming experiments performed using Oak Ridge National Laboratory (ORNL) fusion workflows. The computational results were compared with experimental results that consist of online SDDR measurements with ionization chambers and neutron fluence streaming measurements using thermoluminescent detectors. The ratio of calculated-to-experimental SDDR values ranges from 0.6 to 2.5, and the streaming results range from 0.5 to 8.0. Future work will include analyzing the JET 2021 DTE2 campaign alongside the integration of the Shift Monte Carlo transport code into all ORNL fusion neutronics workflows.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Predicting transport of intra-articularly injected growth factor fusion proteins into human knee joint cartilage

There are no drugs or treatment methods known to prevent the development of post-traumatic osteoarthritis (PTOA), a type of osteoarthritis (OA) that is triggered by traumatic joint injuries and accounts for ~12% of the nearly 600 million OA cases worldwide. Lack of effective drug delivery techniques remains a major challenge in developing clinically effective treatments, but cationic delivery carriers can help overcome this challenge. Scaling up treatments that are effective in in vitro models to achieve success in preclinical in vivo models and clinical trials is also a challenging problem in the field. Here we use a cationic green fluorescent protein (GFP) as a carrier to deliver Insulin-Like Growth Factor 1 (IGF-1), a drug considered as a potential therapeutic for PTOA. GFP-IGF-1 conjugates were first synthesized as fusion proteins with different polypeptide linkers, and their transport properties were characterized in human cartilage explants. In vitro experimental data were used to develop a predictive mathematical transport model that was validated using an independent in vitro experimental data set. In this study, the model was used to predict the transport of these fusion proteins upon intra-articular injection into human knee joints. The predictions included results for the rate and extent of fusion protein penetration into cartilage, and the maximum levels of fusion proteins that would escape into systemic circulation through the joint capsule. Together, our transport measurements and model set the stage for translation of such explant culture studies to in vivo preclinical studies and potentially clinical application.

36 MATERIALS SCIENCE↗

Statistical characterization of experimental magnetized liner inertial fusion stagnation images using deep-learning-based fuel–background segmentation

Significant variety is observed in spherical crystal x-ray imager (SCXI) data for the stagnated fuel–liner system created in Magnetized Liner Inertial Fusion (MagLIF) experiments conducted at the Sandia National Laboratories Z-facility. As a result, image analysis tasks involving, e.g., region-of-interest selection (i.e. segmentation), background subtraction and image registration have generally required tedious manual treatment leading to increased risk of irreproducibility, lack of uncertainty quantification and smaller-scale studies using only a fraction of available data. We present a convolutional neural network (CNN)-based pipeline to automate much of the image processing workflow. This tool enabled batch preprocessing of an ensemble of N scans = 139 SCXI images across N exp = 67 different experiments for subsequent study. The pipeline begins by segmenting images into the stagnated fuel and background using a CNN trained on synthetic images generated from a geometric model of a physical three-dimensional plasma. The resulting segmentation allows for a rules-based registration. Our approach flexibly handles rarely occurring artifacts through minimal user input and avoids the need for extensive hand labelling and augmentation of our experimental dataset that would be needed to train an end-to-end pipeline. Here we also fit background pixels using low-degree polynomials, and perform a statistical assessment of the background and noise properties over the entire image database. Our results provide a guide for choices made in statistical inference models using stagnation image data and can be applied in the generation of synthetic datasets with realistic choices of noise statistics and background models used for machine learning tasks in MagLIF data analysis. We anticipate that the method may be readily extended to automate other MagLIF stagnation imaging applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Characterizing laser preheat for laser-driven magnetized liner inertial fusion using soft x-ray emission

Laser heating of a gas in a cylindrical liner held in by a thin foil window is a critical process in the MagLIF (magnetized liner inertial fusion) concept. Window burn-through and gas heating for OMEGA scale MagLIF cylinders as a function of time have been determined using spectrally integrated soft x-ray diagnostics. Window laser absorption is classified in terms of the emitted x-rays from the window plasma as a function of laser energy, and shows that laser energy absorbed is weakly dependent on incident intensity. Radiation-hydrodynamic simulations overestimate the amount of laser energy absorbed by the window as evidenced by the increase in x-ray radiation across several photon energy bands compared to experiments. Gas temperatures inferred from soft x-ray emission from the front 1 mm of the liner are shown to evolve in time in a similar manner to simulation predictions. In conclusion, soft x-ray emission from the gas within the region of the liner that is normally imploded is shown to meet the 100 eV requirements set by the initial point design for laser-driven MagLIF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Demonstration of plasma mirror capability for the OMEGA Extended Performance laser system

A plasma mirror platform was developed for the OMEGA-EP facility to redirect beams, thus enabling more flexible experimental configurations as well as a platform that can be used in the future to improve laser contrast. The plasma mirror reflected a short pulse focusing beam at 22.5° angle of incidence onto a 12.5 μm thick Cu foil, generating Bremsstrahlung and k α x rays, and accelerating ions and relativistic electrons. By measuring these secondary sources, the plasma mirror key performance metrics of integrated reflectivity and optical quality are inferred. It is shown that for a 5 ± 2 ps, 310 J laser pulse, the plasma mirror integrated reflectivity was 62 ± 13% at an operating fluence of 1670 J cm –2 , and that the resultant short pulse driven particle acceleration and x-ray generation indicate that the on target intensity was 3.1 × 10 18 W cm –2 , which is indicative of a good post-plasma mirror interaction beam optical quality. By deriving the plasma mirror performance metrics from the secondary source scalings, it was simultaneously demonstrated that the plasma mirror is ready for adoption in short pulse particle acceleration and high energy photon generation experiments using the OMEGA-EP system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Frontiers in the Application of RF Vacuum Electronics

The application of radio frequency (RF) vacuum electronics for the betterment of the human condition began soon after the invention of the first vacuum tubes in the 1920s and has not stopped since. Today, microwave vacuum devices are powering important applications in health treatment, material and biological science, wireless communication-terrestrial and space, Earth environment remote sensing, and the promise of safe, reliable, and inexhaustible energy. This article highlights some of the exciting application frontiers of vacuum electronics.

42 ENGINEERING↗

Active heat exchange system development for latent heat thermal energy storage

Alternative mechanizations of active heat exchange concepts were analyzed for use with heat of fusion Phase Change Materials (PCM's) in the temperature range of 250 C to 350 C for solar and conventional power plant applications. Over 24 heat exchange concepts were reviewed, and eight were selected for detailed assessment. Two candidates were chosen for small-scale experimentation: a coated tube and shell that exchanger, and a direct contact reflux boiler. A dilute eutectic mixture of sodium nitrate and sodium hydroxide was selected as the PCM from over fifty inorganic salt mixtures investigated. Preliminary experiments with various tube coatings indicated that a nickel or chrome plating of Teflon or Ryton coating had promise of being successful. An electroless nickel plating was selected for further testing. A series of tests with nickel-plated heat transfer tubes showed that the solidifying sodium nitrate adhered to the tubes and the experiment failed to meet the required discharge heat transfer rate of 10 kW(t). Testing of the reflux boiler is under way.

Lefrois, R. T.↗

A parallel data management system for large-scale NASA datasets

The past decade has experienced a phenomenal growth in the amount of data and resultant information generated by NASA's operations and research projects. A key application is the reprocessing problem which has been identified to require data management capabilities beyond those available today (PRAT93). The Intelligent Information Fusion (IIF) system (ROEL91) is an ongoing NASA project which has similar requirements. Deriving our understanding of NASA's future data management needs based on the above, this paper describes an approach to using parallel computer systems (processor and I/O architectures) to develop an efficient parallel database management system to address the needs. Specifically, we propose to investigate issues in low-level record organizations and management, complex query processing, and query compilation and scheduling.

Srivastava, Jaideep↗

External Pulsed Plasma Propulsion (EPPP) Analysis Maturation

External Pulsed Plasma Propulsion (EPPP) systems are at the stage of engineering infancy with evolving paradigms for application. performance and general characteristics. Recent efforts have focused on an approach that employs existing technologies with near term EPPP development for usage in interplanetary exploration and asteroid/comet deflection. if mandated. The inherent advantages of EPPP are discussed and its application to a variety of propulsion concepts is explored. These include, but are not limited to, utilizing energy sources such as fission. fusion and antimatter, as well as, improved chemical explosives. A mars mission scenario is presented as a demonstration of its capability using existing technologies. A suggested alternate means to improve EPPP efficiencies could also lead to a heavy lift (non-nuclear) launch vehicle capability. Conceivably, true low-cost, access to space is possible using advanced explosive propellants and/or coupling the EPPP vehicle to a "beam propellant" concept. EPPP systems appear to offer an approach that can potentially cover ETO through interstellar transportation capability. A technology roadmap is presented that shows mutual benefits pertaining to a substantial number of existing space propulsion and research areas.

Bonometti, Joesph A.↗

Large-Eddy Simulation of Conductive Flows at Low Magnetic Reynolds Number

In this paper we study the LES method with dynamic procedure in the context of conductive flows subject to an applied external magnetic field at low magnetic Reynolds number R(sub m). These kind of flows are encountered in many industrial applications. For example, in the steel industry, applied magnetic fields can be used to damp turbulence in the casting process. In nuclear fusion devices (Tokamaks), liquid-lithium flows are used as coolant blankets and interact with the surrounding magnetic field that drives and confines the fusion plasma. Also, in experimental facilities investigating the dynamo effect, the flow consists of liquid-sodium for which the Prandtl number and, as a consequence, the magnetic Reynolds number is low. Our attention is focused here on the case of homogeneous (initially isotropic) decaying turbulence. The numerical simulations performed mimic the thought experiment described in Moffatt in which an initially homogeneous isotropic conductive flow is suddenly subjected to an applied magnetic field and freely decays without any forcing. Note that this flow was first studied numerically by Schumann. It is well known that in that case, extra damping of turbulence occurs due to the Joule effect and that the flow tends to become progressively independent of the coordinate along the direction of the magnetic field. Our comparison of filtered direct numerical simulation (DNS) predictions and LES predictions show that the dynamic Smagorinsky model enables one to capture successfully the flow with LES, and that it automatically incorporates the effect of the magnetic field on the turbulence. Our paper is organized as follows. In the next section we summarize the LES approach in the case of MHD turbulence at low R(sub m) and recall the definition of the dynamic Smagorinsky model. In Sec. 3 we describe the parameters of the numerical experiments performed and the code used. Section 4 is devoted to the comparison of filtered DNS results and LES results. Conclusions are presented in Sec. 5.

Knaepen, B.↗

Low and High Temperature Non-Thermonuclear Fusion Approaches to Energy Production

We are responding to the RFI points A1, A2 and A3. We appreciate the need for a high density, high power, environmentally-benign and carbon-neutral power system. Although fusion has been considered for over 70 years, the nearly intractable means of maintaining a hydrogen plasma at temperatures exceeding the center of the Sun increasingly delays not only commercialization but even the scientific breakeven point. As a recent JASON report notes, the world-wide energy grid is moving towards decentralization which is counter to the large tokamak fusion de-vices necessary given their underdense plasmas. NASA has spent several years understanding and developing Lattice Confinement Fusion as an alternative to thermonuclear fusion by exploring many means of loading and triggering fusion reactions in deuterated metal lattices. Triggering has run the gamut from bremsstrahlung-initiated photo-neutrons to the role of electron screening in assisting these reactions. Electron screening may be responsible for both nuclear effects in deuterium pumped metals as well as fast neutrons observed from electrolytically driven cathodes. Electron screened fusion rate enhancement has been observed by others, including the Lawrence Berkeley National Laboratory. NASA’s need for deep space power drove this research with a goal of a ten-year lifetime for a multi-kWe power system. Previous NASA studies have explored the use of fusion systems for nuclear thermal propulsion for manned spaceflight to the outer planets. Despite these designated uses, small-scale terrestrial power applications as well as medical isotope production are possible once scaling is achieved. ARPA-E can contribute to the Nation’s Green Energy mandates by funding research in this field that builds on condensed matter nuclear science findings by the US Navy and NASA.

L. P. Forsley↗

Controlling AM spatter and conduction

An intelligent feed forward model to control additive manufacturing (AM) laser powder bed fusion process and reduce spattering whereby defects are eliminated by controlling the laser power and reducing spattering through a computer model. This application describes using a proportional integral derivative (PID) controller to create a power map that reduces spattering.

Khairallah, Saad A.↗

Fusion Neutron Generator

The proposed code, named FROG (Fusion neutron Generator) is built upon the open-source particle transport Monte Carlo toolkit Geant4. Geant4 provides C++ classes that can be leveraged to build application-specific codes dealing with the transport of particles through matter. Geant4-based codes are applied in high-energy particle physics experiments, medical applications, shielding, and space applications for example. The FROG code allows the user to define the geometry of a neutron converter device shaped as a hollow cylinder, where a neutron breeding material such as lithium deuteride (LiD) is cladded by two concentric cylinders. Such neutron converter is then placed inside a regular nuclear fission reactor, where thermal neutrons will react with the neutron breeder material (typically, Lithium 6), and through a series of reactions, will generate high-energy neutrons – neutrons whose kinetic energy are around 14 MeV. The hollowed central portion can hold a specimen that will be bombarded by high-energy neutrons created inside the neutron breeding material. Figuratively speaking, this type of device transforms neutrons from thermal (~0.625 eV) to fusion (~14 MeV) energies and is sometimes termed “fusion-to-thermal neutron converters” in the literature. The code consists of C++ source file compiled and linked to generate an executable. The user can select the dimensions of the converter (radius, length, and thickness of the breeder material), the breeder material type, the cladding material, and the specimen material that will be activated or irradiated. As input, the neutron flux for a specific location inside a reactor, for instance, positions in ATR, is required. As output, the code predicts the number of high-energy neutrons produced, the total neutron flux and fluence as well as its detailed spectrum. The physics involved in such device is very complex, as it requires modeling neutron transport, light-ion (tritons) transport, as well as fusion reactions. The Geant4 toolkit provides the required physical models.

Martin, NicholasP. [Idaho National Laboratory (INL↗

Science challenges and research opportunities for plasma applications in microelectronics

Low-temperature plasmas (LTPs) are essential to manufacturing devices in the semiconductor industry, from creating extreme ultraviolet photons used in the most advanced lithography to thin film etching, deposition, and surface modifications. It is estimated that 40%–45% of all process steps needed to manufacture semiconductor devices use LTPs in one form or another. LTPs have been an enabling technology in the multidecade progression of the shrinking of device dimensions, often referred to as Moore’s law. New challenges in circuit and device design, novel materials, and increasing demands to achieve environmentally benign processing technologies require advances in plasma technology beyond the current state-of-the-art. The Department of Energy Office of Science Fusion Energy Sciences held a workshop titled Plasma Science for Microelectronics Nanofabrication in August 2022 to discuss the plasma science challenges and technical barriers that need to be overcome to continue to develop the innovative plasma technologies required to support and advance the semiconductor industry. One of the key outcomes of the workshop was identifying a set of priority research opportunities (PROs) to focus attention on the most strategic plasma science challenges to address to benefit the semiconductor industry. For each PRO, scientific challenges and recommended strategies to address those challenges were identified. Furthermore, this article summarizes the PROs identified by the workshop participants.

36 MATERIALS SCIENCE↗

Application of Dislocation Theory to Minimize Defects in Artificial Solids Built with Nanocrystal Building Blocks

Conspectus. Oriented atomic attachment of colloidal inorganic nanocrystals represents a powerful synthetic method for preparing complex inorganic superstructures. Examples include fusion of nanocrystals into dimer and superlattice structures. If the attachment were perfect throughout, then the resulting materials would have single crystal-like alignment of the individual nanocrystals' atomic lattices. While individual colloidal nanocrystals typically are free of many defects, there are a multitude of pathways that can generate defects upon nanocrystal attachment. These attachment generated defects are typically undesirable, and thus developing strategies to favor defect-free attachment or heal defective interfaces are essential. There may also be some cases where attachment-derived defects are desirable. In this Account, we summarize our current understanding of how these defects arise, in order to offer guidance to those who are designing nanocrystal derived solids. The small size of inorganic nanocrystals means short diffusion lengths to the surface, which favor the formation of nanocrystal building blocks with pristine atomic structures. Upon attachment, however, there are numerous pathways that can lead to atomic scale defects, and bulk crystal dislocation theory provides an invaluable guide to understanding these phenomena. As an example, an atomic step edge can be incorporated into the interface leading to an extra half-plane of atoms, known as an edge dislocation. These dislocations can be well described by the Burgers vector description of dislocations, which geometrically identifies planes in which a dislocation can move. Our in situ measurements have verified that bulk dislocation theory predictions for 1D defects hold true at few-nanometer length scales in PbTe and CdSe nanocrystal interfaces. Ultimately, the applicability of dislocation theory to nanocrystal attachment enables the predictive design of attachment to prevent or facilitate healing of defects upon nanocrystal attachment. We applied similar logic to understand formation of planar (2D) defects such as stacking faults upon nanocrystal attachment. Again concepts from bulk crystal defect crystallography can identify attachment pathways that can prevent or deterministically form planar defects upon nanocrystal attachment. The concepts we discuss work well for identifying favorable attachment geometries for nanocrystal pairs ; however it is currently unclear how to translate these ideas to near-simultaneous multiparticle attachment. Geometric frustration, which prevents nanocrystal rotation, and yet-to-be considered defect generation pathways unique to multiparticle attachment complicate defect-free superlattice attachment. New imaging methods now allow for the direct observation of local attachment trajectories and may enable improved understanding of such multiparticle phenomena. With further refinement, a unified framework for understanding and ultimately eliminating structural defects in fused nanocrystal superstructures may well be achievable in coming years.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Conference Support for 2024 MagNetUS Meeting

The 4th annual MagNetUS meeting was held from April 14-18, 2024 in Los Angeles, California at the UCLA Lake Arrowhead Conference Center. The goal of the meeting was to continue the successful template of a mix of invited talks, contributed talks, posters, and discussion sessions established by the first three MagNetUS meetings, in order to 1) communicate physics advances relevant for basic magnetized plasma research which can be performed at small and mid-size experimental facilities; 2) allow collaborator facilities to connect and interact with existing users and potential new users; and 3) grow the community of potential users of collaborator facilities, as well as scientists who focus on theory/modeling and spacecraft observations. The meeting was attended by 77 participants (71 in person) from 23 unique institutions and included 14 invited talks, 19 contributed talks, 22 posters, and six discussion sessions. Topics covered by the meeting included fusion research, space and astrophysical systems (including laboratory analogs), magnetic reconnection, plasma thrusters, turbulence, waves, dusty plasmas, laser plasmas, plasma vortices, plasma sources, and software ecosystems. Discussion sessions included discussions on science communication, with NSF and DOE program managers, on the MagNetUS application process for new users, on experimental facility capabilities, and as a tie-in to the Solar Wind Machine meeting.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗