Search NASA⌕ Search

SEARCH · Search NASA

Results for “Maintainability Requirements”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 433 records · Page 24

Development of 250 kW Ammonia and Hydrogen Industrial Burner Test Facility at the National Energy Technology Laboratory

In an effort to investigate the viability of ammonia and hydrogen as fuels in the industrial heating sector, the Department of Energy’s National Energy Technology Laboratory is developing a 250 kW burner test facility. The pursuit of a decarbonized industrial heating sector requires innovative approaches to convert existing assets to alternative fuels while maintaining adequate radiative heat transfer and limiting NOx. This new capability will leverage NETL’s experience and prior investments in ammonia and hydrogen combustion, to advance atmospheric pressure industrial combustion systems for industries such as cement kilns and glass factories. The intention in coming years is to collaborate with burner manufacturers and heavy industry partners to study, develop, and validate strategies for converting existing hardware from carbon-based fuels to next-generation clean ammonia and hydrogen technologies.

May, Kristyn Johnson↗

Puck and Puck/SAW Loop Seals (Final Report)

Tamper-indicating devices (TIDs), also known as seals, play a crucial role in various sectors including international nuclear safeguards, arms control, domestic security, and commercial products, by ensuring that monitored or high-value items are not accessed undetected. These devices do not block access but alert to unauthorized tampering. With adversaries' capabilities evolving, there's a pressing need for seals to advance in terms of effectiveness (e.g., better tamper indication and unique identification), and new technology can improve the efficiency of installation and verification. Passive loop seals, widely used in international nuclear safeguards to ensure that continuity of knowledge is maintained on declared items, face stringent International Atomic Energy Agency (IAEA) requirements that surpass those met by commercial products. The metal cup seal (Figure 1, left), a staple IAEA seal, is robust but requires significant resources for post-use verification – specifically, the seal’s unique identity can only be verified at IAEA headquarters after removal from facilities. Further, the seal has been in use for decades and seal types should periodically be replaced to counter adversarial efforts for defeating seals. In 2020, the IAEA outlined about 40 requirements for a new passive loop seal, aiming for in-situ verification, minimal external tool use, unique identification (UID), and clear tamper indication. In response, research and development efforts focused on creating a new passive loop seal that meets these criteria and in 2022 the IAEA announced the completion of the Field Verifiable Passive Loop Seal (FVPS) (Figure 1, right). Concurrently to the IAEA’s efforts, Sandia National Laboratories (SNL) and Oak Ridge National Laboratory (ORNL) designed, developed, and tested two seal versions – Puck and Puck/SAW, with Puck based on the IAEA’s requirements and including a novel visually-obvious tamper response, and Puck/SAW adding additional beneficial capabilities like the ability to receive a unique identifier from a standoff distance and monitoring the wire integrity. Puck/SAW was specifically designed and developed to address sealing applications in dry spent fuel storage facilities, where the number of sealed spent fuel containers results in heavy verification burden and inspector safety issues related to radiation exposure. These efforts are described in this Executive Summary.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Considerations for AMI-Based Operations for Distribution Feeders

More than $5 billion in investments in advanced metering infrastructure (AMI) technologies, AMI deployments, as pervasive secondary network voltage monitoring systems, provide opportunities for utility operations and controls. This paper focuses on the considerations for AMI-based tools and techniques as the industry moves toward operationalizing such large data sets. Phase identification is a first such tool. Numerous distribution network analysis, monitoring, and control applications - including volt/volt-ampere reactive control, state estimation, and distribution automation - require accurate phase connectivity information in the system models. The phase connectivity database maintained by utilities is inaccurate because of a significant amount of missing data, restoration activities, and network reconfiguration. Existing phase identification techniques that estimate phase connectivity work well in distribution feeders that have low or no photovoltaic (PV) generation; however, they fail to identify the phases accurately when considerable PV generation is present. This work addresses the phase identification problem in the presence of high PV generation using statistical analysis methods. Further, insights into the AMI data requirements for this application in terms of data window length and resolution are provided using sensitivity analysis performed on an actual distribution feeder model of San Diego Gas & Electric Company. The results of this study show that the phase connectivity, even in the presence of high PV generation, can be accurately identified using statistical analysis of AMI data of 1 day.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Physics and technology considerations for the deuterium–tritium fuel cycle and conditions for tritium fuel self sufficiency

The tritium aspects of the DT fuel cycle embody some of the most challenging feasibility and attractiveness issues in the development of fusion systems. The review and analyses in this paper provide important information to understand and quantify these challenges and to define the phase space of plasma physics and fusion technology parameters and features that must guide a serious R&D in the world fusion program. We focus in particular on components, issues and R&D necessary to satisfy three 'principal requirements': (1) achieving tritium self-sufficiency within the fusion system, (2) providing a tritium inventory for the initial start-up of a fusion facility, and (3) managing the safety and biological hazards of tritium. A primary conclusion is that the physics and technology state-of-the-art will not enable DEMO and future power plants to satisfy these principal requirements. We quantify goals and define specific areas and ideas for physics and technology R&D to meet these requirements. A powerful fuel cycle dynamics model was developed to calculate time-dependent tritium inventories and flow rates in all parts and components of the fuel cycle for different ranges of parameters and physics and technology conditions. Dynamics modeling analyses show that the key parameters affecting tritium inventories, tritium start-up inventory, and tritium self-sufficiency are the tritium burn fraction in the plasma (f b ), fueling efficiency (η f ), processing time of plasma exhaust in the inner fuel cycle (t p ), reactor availability factor (AF), reserve time (tr) which determines the reserve tritium inventory needed in the storage system in order to keep the plant operational for time t r in case of any malfunction of any part of the tritium processing system, and the doubling time (t d ). Results show that η f f b > 2% and processing time of 1–4 h are required to achieve tritium self-sufficiency with reasonable confidence. For η f f b = 2% and processing time of 4 h, the tritium start-up inventory required for a 3 GW fusion reactor is ~11 kg, while it is <5 kg if η f f b = 5% and the processing time is 1 h. To achieve these stringent requirements, a serious R&D program in physics and technology is necessary. The EU-DEMO direct internal recycling concept that carries fuel directly from the plasma exhaust gas to the fueling systems without going through the isotope separation system reduces the overall processing time and tritium inventories and has positive effects on the required tritium breeding ratio (TBR R ). A significant finding is the strong dependence of tritium self-sufficiency on the reactor availability factor. Simulations show that tritium self-sufficiency is: impossible if AF < 10% for any η f f b , possible if AF > 30% and 1% ≤ η f f b ≤ 2%, and achievable with reasonable confidence if AF > 50% and η f f b > 2%. These results are of particular concern in light of the low availability factor predicted for the near-term plasma-based experimental facilities (e.g. FNSF, VNS, CTF), and can have repercussions on tritium economy in DEMO reactors as well, unless significant advancements in RAMI are made. There is a linear dependency between the tritium start-up inventory and the fusion power. The required tritium start-up inventory for a fusion facility of 100 MW fusion power is as small as 1 kg. Since fusion power plants will have large powers for better economics, it is important to maintain a 'reserve' tritium inventory in the tritium storage system to continue to fuel the plasma and avoid plant shutdown in case of malfunctions of some parts of the tritium processing lines. But our results show that a reserve time as short as 24 h leads to unacceptable reserve and start-up inventory requirements. Therefore, high reliability and fast maintainability of all components in the fuel cycle are necessary in order to avoid the need for storing reserve tritium inventory sufficient for continued fusion facility operation for more than a few hours. The physics aspects of plasma fueling, tritium burn fraction, and particle and power exhaust are highly interrelated and complex, and predictions for DEMO and power reactors are highly uncertain because of lack of experiments with burning plasma. Fueling by pellet injection on the high field side of tokamak has evolved to be the preferred method to fuel a burning plasma. Extrapolation from the DIII-D penetration scaling shows fueling efficiency expected in DEMO to be <25%, but such extrapolations are highly uncertain. The fueling efficiency of gas in a reactor relevant regime is expected to be extremely poor and not very useful for getting tritium into the core plasma efficiently. Gas fueling will nonetheless be useful for feedback control of the divertor operating parameters. Extensive modeling has been carried out to predict burn fraction, fueling requirements, and fueling efficiency for ITER, DEMO, and beyond. The fueling rate required to operate Q = 10 ITER plasmas in order to provide the required core fueling, helium exhaust and radiative divertor plasma conditions for acceptable divertor power loads was calculated. If this fueling is performed with a 50–50 DT mix, the tritium burn fraction in ITER would be ~0.36%, which is too low to satisfy the self-sufficiency conditions derived from the dynamics modeling for fusion reactors. Extrapolation to DEMO using this approach would also yield similarly low burn fraction. Extensive analysis presented shows that specific features of edge neutral dynamics in ITER and fusion reactors, which are different from present experiments, open possibilities for optimization of tritium fueling and thus to improve the burn fraction. Using only tritium in pellet fueling of the plasma core, and only deuterium for edge density, divertor power load and ELM control results in significant increase of the burn fraction to 1.8–3.6%. These estimates are performed with physics models whose results cannot be fully validated for ITER and DEMO plasma conditions since these cannot be achieved in present tokamak experiments. Thus, several uncertainties remain regarding particle transport and scenario requirements in ITER and DEMO. The safety standard requirements for protection of the public and release guidelines for tritium have been reviewed. General safety approaches including minimizing tritium inventories, reducing tritium permeation through materials, and decontaminating material for waste disposal have been suggested.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Adaptive clipping‐and‐redistribution algorithms for bounded and conservative high‐order interpolations applied to discontinuous and reactive flows

Abstract A new adaptive clipping‐and‐redistribution method is presented which provides bounds‐preservation for multidimensional interpolation in the context of high‐order finite‐volume discretizations with adaptive mesh refinement (AMR). The underlying finite‐volume method (FVM) for the computational fluid dynamics applications is fourth‐order accurate for smooth solutions and utilizes AMR for computational efficiency in solving multiscale problems involving turbulence and combustion. High‐order interpolation between different AMR levels is required. However, this operation often leads to numerical issues because combustion species must have physical bounds preserved. The present study overcomes two major challenges in the development of the high‐order interpolation method. First, the method needs to be bound‐preserving near extrema or discontinuities to prevent the emergence of unphysical oscillations while maintaining fourth‐order accuracy in smooth flows. Second, the method needs to satisfy the conservation requirement in multiple dimensions, particularly in the context of curvilinear coordinate transformations. Additionally, the method is designed to be localized and computationally inexpensive. The new interpolation scheme is demonstrated by solving reacting flows, which are extremely sensitive to unphysical overshoots in conserved quantities. The test problems are shock‐induced ‐ combustion and a ‐air flame in a practical bluff‐body combustor. Results show the method prevents new extrema near discontinuities while maintaining high‐order accuracy in smooth regions. In particular, the method is extremely beneficial for combustion with stiff chemistry. With the proposed new method, even if flame fronts cross AMR interfaces or new grids are created in the vicinity of the flame, solution stability is retained.

97 MATHEMATICS AND COMPUTING↗

Toward Smart, Automated Junctional Tourniquets—AI Models to Interpret Vessel Occlusion at Physiological Pressure Points

Hemorrhage is the leading cause of preventable death in both civilian and military medicine. Junctional hemorrhages are especially difficult to manage since traditional tourniquet placement is often not possible. Ultrasound can be used to visualize and guide the caretaker to apply pressure at physiological pressure points to stop hemorrhage. However, this process is technically challenging, requiring the vessel to be properly positioned over rigid boney surfaces and applying sufficient pressure to maintain proper occlusion. As a first step toward automating this life-saving intervention, we demonstrate an artificial intelligence algorithm that classifies a vessel as patent or occluded, which can guide a user to apply the appropriate pressure required to stop flow. Neural network models were trained using images captured from a custom tissue-mimicking phantom and an ex vivo swine model of the inguinal region, as pressure was applied using an ultrasound probe with and without color Doppler overlays. Using these images, we developed an image classification algorithm suitable for the determination of patency or occlusion in an ultrasound image containing color Doppler overlay. Separate AI models for both test platforms were able to accurately detect occlusion status in test-image sets to more than 93% accuracy. In conclusion, this methodology can be utilized for guiding and monitoring proper vessel occlusion, which, when combined with automated actuation and other AI models, can allow for automated junctional tourniquet application.

60 APPLIED LIFE SCIENCES↗

Manipulating nanoscale structure to control functionality in printed organic photovoltaic, transistor and bioelectronic devices

Printed electronics is simultaneously one of the most intensely studied emerging research areas in science and technology and one of the fastest growing commercial markets in the world today. For the past decade the potential for organic electronic (OE) materials to revolutionize this printed electronics space has been widely promoted. Such conviction in the potential of these carbon-based semiconducting materials arises from their ability to be dissolved in solution, and thus the exciting possibility of simply printing a range of multifunctional devices onto flexible substrates at high speeds for very low cost using standard roll-to-roll printing techniques. However, the transition from promising laboratory innovations to large scale prototypes requires precise control of nanoscale material and device structure across large areas during printing fabrication. Maintaining this nanoscale material control during printing presents a significant new challenge that demands the coupling of OE materials and devices with clever nanoscience fabrication approaches that are adapted to the limited thermodynamic levers available. In this review we present an update on the strategies and capabilities that are required in order to manipulate the nanoscale structure of large area printed organic photovoltaic (OPV), transistor and bioelectronics devices in order to control their device functionality. This discussion covers a range of efforts to manipulate the electroactive ink materials and their nanostructured assembly into devices, and also device processing strategies to tune the nanoscale material properties and assembly routes through printing fabrication. The review finishes by highlighting progress in printed OE devices that provide a feedback loop between laboratory nanoscience innovations and their feasibility in adapting to large scale printing fabrication. The ability to control material properties on the nanoscale whilst simultaneously printing functional devices on the square metre scale is prompting innovative developments in the targeted nanoscience required for OPV, transistor and biofunctional devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

R-CERT Project Analysis Report

The R-CERT project aims to determine if PBX 9501 will experience a deflagration to detonation transition (DDT) while in a high pressure environment. Combined efforts in design and analysis between multiple groups at Los Alamos National Laboratory (LANL) were required to finalize the test design. The proposed design of the case assembly (i.e. the pressure vessel that would contain the high explosive) was analyzed and iteratively modified until modeling efforts predicted the case would maintain pressure up to 5000 psi under quasi-static conditions. To prevent the case from being excessively robust beyond its design requirement, grooves were added to the case geometry with depths and radii of 4 mm, thus weakening the case while maintaining much of the mass of the proposed design.

42 ENGINEERING↗

Collaboration and Negotiation

Collaboration and Negotiation is a critical high-level function of an Autonomous Intelligent Cyber-Defense Agent (AICA) that enables communication among agents, central cyber C2, and human operators. Maintaining the Confidentiality, Integrity, and Availability (CIA) triad while achieving mission goals requires stealthy AICA agents to exercise: 1) minimal communication as needed for avoiding detection, 2) verification of information received with possibly limited resources, and 3) active learning during operations to address dynamic conditions. Moreover, negotiations to jointly identify and execute a Course of Action (COA) solution will require building consensus under distributed and/or decentralized multiagent settings with information uncertainties. This chapter presents algorithmic approaches for enabling the collaboration and negotiation function. Strengths and limitations of potential techniques are identified, and a representative example is illustrated. Recommendations for future development are also discussed.

Chatterjee, Samrat↗

Sterile neutrino dark matter and leptogenesis in Left-Right Higgs Parity

The standard model Higgs quartic coupling vanishes at (10 9 – 10 13 ) GeV. We study SU(2) L × SU(2) R × U(1) B–L theories that incorporate the Higgs Parity mechanism, where this becomes the scale of Left-Right symmetry breaking, $v_R$. Furthermore, these theories solve the strong CP problem and predict three right-handed neutrinos. We introduce cosmologies where SU(2) R × U(1) B–L gauge interactions produce right-handed neutrinos via the freeze-out or freeze-in mechanisms. In both cases, we find the parameter space where the lightest right-handed neutrino is dark matter and the decay of a heavier one creates the baryon asymmetry of the universe via leptogenesis. A theory of flavor is constructed that naturally accounts for the lightness and stability of the right-handed neutrino dark matter, while maintaining sufficient baryon asymmetry. The dark matter abundance and successful natural leptogenesis require vR to be in the range (10 10 – 10 13 ) GeV for freeze-out, in remarkable agreement with the scale where the Higgs quartic coupling vanishes, whereas freeze-in requires $v_R$ ≳ 109 GeV. The allowed parameter space can be probed by the warmness of dark matter, precise determinations of the top quark mass and QCD coupling by future colliders and lattice computations, and measurement of the neutrino mass hierarchy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Blended fuel property analysis of butyl-exchanged polyoxymethylene ethers as renewable diesel blendstocks

Methyl-terminated polyoxymethylene ethers (MM-POMEs), having the formula CH 3 O-(CH 2 O)n-CH 3 (n = 3-6), are a class of oxygenates with desirable diesel-like fuel properties including high cetane number and low soot formation. However, their low energy density and high water-solubility present barriers to their adoption. Both concerns were recently addressed by our research group by synthesizing a mixture of POME structures having butyl end-groups and n = 1-6, termed B*POME1-6. B*POME1-6 maintained the advantageous properties of the parent MM-POMEs, and exhibited improved energy density and most notably, dramatically decreased water solubility. For evaluation against a set of criteria for a blended diesel blendstock, a 20 vol% blend of B*POME1-6 with a base diesel fuel was investigated here. Oxidation stability, cetane number, sooting tendency, lubricity and conductivity were improved in the B*POME1-6 blend compared with the base diesel, while also maintaining the flash point, cloud point, energy density, viscosity, and boiling point requirements. The B*POME1-6 product demonstrated a synergistic blending behavior at 10 vol% and a linear blending behavior at 20-30 vol% blends, in agreement with similar POME blends at comparable blend levels. Finally, common environmental and toxicity models performed on B*POME1-6 component molecules suggested they have a greater propensity to partition into the water compartment compared to a common diesel surrogate, but with a lower tendency to bioaccumulate.

33 ADVANCED PROPULSION SYSTEMS↗

Optimization of key energy and performance metrics for drug product manufacturing

During the development of pharmaceutical manufacturing processes, detailed systems-based analysis and optimization are required to control and regulate critical quality attributes within specific ranges, to maintain product performance. As discussions on carbon footprint, sustainability, and energy efficiency are gaining prominence, the development and utilization of these concepts in pharmaceutical manufacturing are seldom reported, which limits the potential of pharmaceutical industry in maximizing key energy and performance metrics. Based on an integrated modeling and techno-economic analysis framework previously developed by the authors, this study presents the development of a combined sensitivity analysis and optimization approach to minimize energy consumption while maintaining product quality and meeting operational constraints in a pharmaceutical process. The optimal input process conditions identified were validated against experiments and good agreement resulted between simulated and experimental data. Here, the results also allowed for a comparison of the capital and operational costs for batch and continuous manufacturing schemes under nominal and optimized conditions. Using the nominal batch operations as a basis, the optimized batch operation results in a 71.7% reduction of energy consumption, whereas the optimized continuous case results in an energy saving of 83.3%.

59 BASIC BIOLOGICAL SCIENCES↗

Etching with electron beam-generated plasmas: Selectivity versus ion energy in silicon-based films

In the ideal case, plasma-enhanced atomic layer etching enables the ability to not only remove one monolayer of material but also leave adjacent layers undamaged. This dual mandate requires fine control over the flux of species to ensure efficacy, while maintaining an often arduously low ion energy. Electron beam-generated plasmas are well-suited for etching at low ion energies as they are generally characterized by highly charged particle densities (10 10 –10 11 cm –3 ) and low electron temperatures (<1.0 eV), which provide the ability to deliver a large flux of ions whose energies are <5 eV. Raising the ion energy with substrate biasing thus enables process control over an energy range that extends down to values commensurate with the bond strength of most material systems. In this work, we discuss silicon nitride etching using pulsed, electron beam-generated plasmas produced in argon-SF6 backgrounds. We pay particular attention to the etch rates and selectivity versus oxidized silicon nitride and polycrystalline silicon as a function of ion energy from a few eV up to 50 eV. Here, we find the blanket etch rate of Si 3 N 4 to be in the range of 1 A/s, with selectivities (versus SiO 2 and poly-Si) greater than 10:1 when ion energies are below 30 eV.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Cybersecurity and Digital Components: Supply Chain Deep Dive Assessment

The report “America’s Strategy to Secure the Supply Chain for a Robust Clean Energy Transition” lays out the challenges and opportunities faced by the United States in the energy supply chain as well as the federal government plans to address these challenges and opportunities. It is accompanied by several issue-specific deep dive assessments, including this one, in response to Executive Order 14017 “America’s Supply Chains,” which directs the Secretary of Energy to submit a report on supply chains for the energy sector industrial base. The Executive Order is helping the federal government to build more secure and diverse U.S. supply chains, including energy supply chains. As the energy sector has become more globalized and increasingly complex, digitized, and even virtualized, its supply chain risk for digital components – the software, virtual platforms and services, and data – in energy systems has evolved and expanded. All digital components in U.S. energy sector systems are vulnerable and may be subject to cyber supply cha in risks stemming from a variety of threats, vulnerabilities, and impacts. This includes digital components in all systems within the ESIB, namely those systems operated by asset owners across different energy subsectors (e.g., electricity, oil and natural gas, and renewables) and the systems operated by a worldwide industrial complex with capabilities to perform research and development and design, produce, operate, and maintain energy sector systems, subsystems, components, or parts to meet U.S. energy requirements. Supply chain risks for digital components including software, virtual platforms and services, and data have grown in recent years as increasingly sophisticated cyber adversaries have targeted exploiting vulnerabilities in these digital assets. Supply chain risks for digital components in energy sector systems will continue to evolve and likely increase as these systems are increasingly interconnected, digitized, and remotely operated.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Deep Learning for Fish Identification from Sonar Data (CRADA 481 Final Report)

In eastern regions of the United States, the American eel is a species of management and regulatory concern because of significant population declines, despite the species’ previous abundance in all tributaries of rivers flowing into the Atlantic Ocean. The American eel is also a candidate for listing under the U.S. Endangered Species Act. While hydropower construction and operation are only one of several factors contributing to this population decline, such a listing could impose additional regulatory challenges for a large number of hydropower projects. In this CRADA project, we improved technologies for identifying migrating eels with the goal of reducing the cost and time required for future American eel hydropower impact assessment and mitigation studies, while maintaining accuracy. We built on results from a previous FOA project (FOA# DE-FOA-0001662), led by the Electric Power Research Institute (EPRI), which developed a highly accurate, deep-learning method for identifying migrating eels from imaging sonar data. The current study aimed to further optimize this deep-learning model, originally designed for image classification, and to develop an object detection software capable of identifying fish from sonar videos in real time, enabling the detection of events like fish migrations and specific species, such as the American eel, at hydropower dams. The data conversion algorithms were packaged as software with a graphical user interface, and the software is evaluated by external collaborators. We focused on the American eel in this project and explored the transferability of the developed deep learning models to the sea lamprey, given the similar body shape and swimming behavior between the two species.

13 HYDRO ENERGY↗

A numerical evaluation of the ambient air temperature in the Electron-Ion Collider tunnel

The Electron-Ion Collider (EIC) is a next-generation collider-accelerator that may require consistent operating temperature conditions for the beams within the accelerator tunnels to maintain stable operation. Variations in ambient temperature within the tunnel can cause thermal expansion of beampipe and component supports and can negatively affect the tunnel equipment, impacting the stability of the beamline. Modifications will be made to the Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Laboratory (BNL) to create the EIC, which necessitates a temperature model that addresses these modifications. To approach this problem, the consistency of temperature changes in different tunnel sections was first evaluated by plotting RHIC tunnel temperature data at various times of the day and year. From this data, a tunnel section was selected and a 2D temperature model was created for RHIC, EIC, and EIC with added cooling configurations. Soil temperature data was analyzed to determine the maximum, average, and mode soil temperatures, which were used as boundary conditions in different temperature scenarios. Computational fluid dynamics modeling was used to create 2D temperature profiles for the configurations. From this model, the predicted temperatures indicate that further analysis is required to validate the boundary conditions and benchmark the current conditions to allow the prediction of the tunnel ambient conditions at EIC. This research can be used as a preliminary model to create an EIC tunnel cooling system that will increase the operational stability of the EIC. As a result of my work this summer, I have become familiar with computational fluid dynamics, including creating fluid dynamic simulations using ANSYS Fluent and related software. I have also learned about the project process required for planning large-scale engineering projects.

43 PARTICLE ACCELERATORS↗

Super-time-stepping schemes for parabolic equations with boundary conditions

In this work, we present a super-time-stepping scheme for numerically solving parabolic partial differential equations with Dirichlet boundary conditions (BC). Using the general Forward Euler scheme, one can show that by taking varying step sizes there is the potential of propagating the solution forward in time by a greater amount than with uniform step sizes, while maintaining the same order of accuracy. As shown in previous works, if one further requires that the scheme have the Convex Monotone Property (CMP), then there exists a scheme which results in linear, monotone stability of the solution. This monotone stability is highly desirable in many physical situations, such as thermal diffusion, where the physical system will not oscillate, but will behave monotonically. However, the schemes devised in previous works do not include situations that have a boundary condition, and the inclusion of boundary conditions will henceforth be our focus. It is shown that a particular Runge-Kutta-Gegenbauer class of schemes [5] will maintain the CMP even in the presence of Dirichlet BC.

97 MATHEMATICS AND COMPUTING↗

Instrumentation and methods for efficient time-resolved X-ray crystallography of biomolecular systems with sub-10 ms time resolution

Time-resolved X-ray crystallography has great promise to illuminate structure–function relations and key steps of enzymatic reactions with atomic resolution. The dominant methods for chemically-initiated reactions require complex instrumentation at the X-ray beamline, significant effort to operate and maintain this instrumentation, and enormous numbers (∼10 5 –10 9 ) of crystals per time point. We describe instrumentation and methods that enable high-throughput time-resolved study of biomolecular systems using standard crystallography sample supports and mail-in X-ray data collection at standard high-throughput cryocrystallography synchrotron beamlines. The instrumentation allows rapid reaction initiation by mixing of crystals and substrate/ligand solution, rapid capture of structural states via thermal quenching with no pre-cooling perturbations, and yields time resolutions in the single-millisecond range, comparable to the best achieved by any non-photo-initiated method in both crystallography and cryo-electron microscopy. Our approach to reaction initiation has the advantages of simplicity, robustness, low cost, adaptability to diverse ligand solutions and small minimum volume requirements, making it well suited to routine laboratory use and to high-throughput screening. We report the detailed characterization of instrument performance, present structures of binding of N -acetylglucosamine to lysozyme at time points from 8 ms to 2 s determined using only one crystal per time point, and discuss additional improvements that will push time resolution toward 1 ms.

Indergaard, John A. (ORCID:000000022367699X)↗