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DOE OSTI2025

Computational tools and data integration to accelerate vaccine development: challenges, opportunities, and future directions

The development of effective vaccines is crucial for combating current and emerging pathogens. Despite significant advances in the field of vaccine development there remain numerous challenges including the lack of standardized data reporting and curation practices, making it difficult to determine correlates of protection from experimental and clinical studies. Significant gaps in data and knowledge integration can hinder vaccine development which relies on a comprehensive understanding of the interplay between pathogens and the host immune system. In this review, we explore the current landscape of vaccine development, highlighting the computational challenges, limitations, and opportunities associated with integrating diverse data types for leveraging artificial intelligence (AI) and machine learning (ML) techniques in vaccine design. We discuss the role of natural language processing, semantic integration, and causal inference in extracting valuable insights from published literature and unstructured data sources, as well as the computational modeling of immune responses. Furthermore, we highlight specific challenges associated with uncertainty quantification in vaccine development and emphasize the importance of establishing standardized data formats and ontologies to facilitate the integration and analysis of heterogeneous data. Through data harmonization and integration, the development of safe and effective vaccines can be accelerated to improve public health outcomes. Looking to the future, we highlight the need for collaborative efforts among researchers, data scientists, and public health experts to realize the full potential of AI-assisted vaccine design and streamline the vaccine development process.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Hardware accelerated dynamic work creation on a graphics processing unit

A processor core is configured to execute a parent task that is described by a data structure stored in a memory. A coprocessor is configured to dispatch a child task to the at least one processor core in response to the coprocessor receiving a request from the parent task concurrently with the parent task executing on the at least one processor core. In some cases, the parent task registers the child task in a task pool and the child task is a future task that is configured to monitor a completion object and enqueue another task associated with the future task in response to detecting the completion object. The future task is configured to self-enqueue by adding a continuation future task to a continuation queue for subsequent execution in response to the future task failing to detect the completion object.

Gutierrez, Anthony↗

DOE OSTI2023

Hardware accelerated dynamic work creation on a graphics processing unit

Gutierrez, Anthony T.↗

DOE OSTI2026

Qualifying LaBr3:Ce+Sr detector performance for the Mu2e experiment at Fermilab Using the ELBE Accelerator

A LaBr3:Ce+Sr detector will be used to measure the stopped muon captures at the Mu2e experiment at Fermilab. It has been benchmarked in a test beam experiment performed at the ELBE electron accelerator located at the Helmholtz-Zentrum Dresden-Rossendorf, Germany. ELBE’s pulsed bremsstrahlung beam line was set to deliver an average γ -ray energy of between 4–5 MeV. The detector response was mapped to match Mu2e beam conditions, including rates up to 1 Mcps, energy flux, and time structure. A radioactive calibration source was used to mimic the characteristic 1808.7 keV γ -ray, emitted during the atomic muon nuclear capture in the Mu2e aluminum stopping target. The detector energy resolution was measured as a function of the average energy flux: up to 1 TeV/s for 0.34 s, the steady-operation beam-on time and up to 4 TeV/s for 5 ms to get a conservative estimate of the effect of high intensity Mu2e beam fluctuations. The PMT gain variation as a function of the beam spill length and average intensity has been parametrized and corrected for. When a PMT gain correction corresponding to the average beam-spill intensity is applied, the residual effect of beam intensity fluctuations around the average degrades the energy resolution, σ E γ /E γ , at 1808.7 keV from 0.66% to 0.83%.

Huang, Shihua [Purdue U., West Lafayette]↗

DOE OSTI2025

Anomalous lattice relaxation dynamics in optimally doped La 2−𝑥⁢ Sr 𝑥 ⁢CuO 4

The atomic lattice plays a critical role in the emergence of high-𝑇 𝑐 superconductivity in cuprates. While the dynamics associated with electron-lattice coupling typically unfold on picosecond-to-femtosecond timescales, we present an x-ray photon correlation spectroscopy investigation on an optimally doped La-based cuprate that reveals a strong response of kilosecond-scale lattice relaxation dynamics to the superconducting state. Notably, an anomaly emerges around 𝑇 𝑐 : upon cooling into the superconducting state, the average atomic relaxation lifetime decreases, i.e., dynamics accelerate. This indicates a significant change in the local disorder-induced strain field dynamics at the superconducting transition, highlighting a remarkable coupling between superconductivity and the lattice on quasistatic timescales.

Petsch, A. N. [SLAC National Accelerator Laborator↗

DOE OSTI2023

Precision engineering of biological function with large-scale measurements and machine learning

As synthetic biology expands and accelerates into real-world applications, methods for quantitatively and precisely engineering biological function become increasingly relevant. This is particularly true for applications that require programmed sensing to dynamically regulate gene expression in response to stimuli. However, few methods have been described that can engineer biological sensing with any level of quantitative precision. Here, we present two complementary methods for precision engineering of genetic sensors: in silico selection and machine-learning-enabled forward engineering. Both methods use a large-scale genotype-phenotype dataset to identify DNA sequences that encode sensors with quantitatively specified dose response. First, we show that in silico selection can be used to engineer sensors with a wide range of dose-response curves. To demonstrate in silico selection for precise, multi-objective engineering, we simultaneously tune a genetic sensor’s sensitivity (EC 50 ) and saturating output to meet quantitative specifications. In addition, we engineer sensors with inverted dose-response and specified EC 50 . Second, we demonstrate a machine-learning-enabled approach to predictively engineer genetic sensors with mutation combinations that are not present in the large-scale dataset. We show that the interpretable machine learning results can be combined with a biophysical model to engineer sensors with improved inverted dose-response curves.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Niowave Ancillary Systems – FY21: In Partial Fulfillment of the Deliverable Requirement for Niowave Ancillary Systems Support by LANL

Niowave Inc. produces medical radioisotopes within the US. Lead-bismuth eutectic (LBE) is irradiated using an electron beam to produce neutrons that are used in the production of Molybdenum-99 (Mo-99). The medical community relies on a steady supply of Mo-99 which is primarily used in medical diagnostic imaging. The irradiation of LBE results in high temperatures within the molten metal, this work focusses on the design of ancillary systems associated with the liquid metal system. The LBE is initially at a temperature of 200°C and flows over a steel plate to create a waterfall. The electron beam is then aimed at the waterfall to generate neutrons. The peak temperatures of the LBE post irradiation depend on the beam energy of the LINAC. For a 15 MeV and 20 kW beam, the temperatures can range between 300°C and 350°C. The LBE is cycled through the system to create a closed loop that requires the post-irradiation LBE to be cooled back to 200°C. This work focuses on the heat exchanger and condenser system responsible for the cooling of the post-irradiation LBE.

36 MATERIALS SCIENCE↗

NASA NTRS1983

Evaluation of mounting bolt loads for Space Shuttle Get Away Special (GAS) adapter beam

During the prototype vibration tests of the GAS adapter beam, significant impacting of the beam at its support points was observed. The cause of the impacting was traced to gaps under the mounting bolt heads. Because of the nonlinear nature of the response, it was difficult to evaluate the effects which Shuttle launch dynamics might have on the mounting bolt loads. A series of tests were conducted on an electrodynamic exciter in which the transient acceleration time histories, which had been measured during the Space Transportation System-1 (STS-1; Space Shuttle mission 1) launch, were simulated. The actual flight data had to be filtered and compensated so that it could be reproduced on the shaker without exceeding displacement and velocity limitations. Mounting bolt loads were measured directly by strain gages applied to the bolts. Various gap thicknesses and bolt torques were investigated. Although increased gap thickness resulted in greater accelerations due to impacting, the bolt loads were not significantly affected. This is attributed to the fact that impacting excited mostly higher frequency modes which do not have significant modal mass.

Talapatra, D. C.↗

NASA NTRS1986

Effect of loading rate on dynamic fracture of reaction bonded silicon nitride

Wedge-loaded, modified tapered double cantilever beam (WL-MTDCB) specimens under impact loading were used to determine the room temperature dynamic fracture response of reaction bonded silicon nitride (RBSN). The crack extension history, with the exception of the terminal phase, was similar to that obtained under static loading. Like its static counterpart, a distinct crack acceleration phase, which was not observed in dynamic fracture of steel and brittle polymers, was noted. Unlike its static counterpart, the crack continued to propagate at nearly its terminal velocity under a low dynamic stress intensity factor during the terminal phase of crack propagation. These and previously obtained results for glass and RBSN show that dynamic crack arrest under a positive dynamic stress intensity factor is unlikely in static and impact loaded structural ceramics.

Liaw, B. M.↗

NASA NTRS1961

An Explicit Linear Filtering Solution for the Optimization of Guidance Systems with Statistical Inputs

The determination of optimum filtering characteristics for guidance system design is generally a tedious process which cannot usually be carried out in general terms. In this report a simple explicit solution is given which is applicable to many different types of problems. It is shown to be applicable to problems which involve optimization of constant-coefficient guidance systems and time-varying homing type systems for several stationary and nonstationary inputs. The solution is also applicable to off-design performance, that is, the evaluation of system performance for inputs for which the system was not specifically optimized. The solution is given in generalized form in terms of the minimum theoretical error, the optimum transfer functions, and the optimum transient response. The effects of input signal, contaminating noise, and limitations on the response are included. From the results given, it is possible in an interception problem, for example, to rapidly assess the effects on minimum theoretical error of such factors as target noise and missile acceleration. It is also possible to answer important questions regarding the effect of type of target maneuver on optimum performance.

Stewart, Elwood C.↗

NASA NTRS2001

Compound gravity receptor polarization vectors evidenced by linear vestibular evoked potentials

The utricle and saccule are gravity receptor organs of the vestibular system. These receptors rely on a high-density otoconial membrane to detect linear acceleration and the position of the cranium relative to Earth's gravitational vector. The linear vestibular evoked potential (VsEP) has been shown to be an effective non-invasive functional test specifically for otoconial gravity receptors (Jones et al., 1999). Moreover, there is some evidence that the VsEP can be used to independently test utricular and saccular function (Taylor et al., 1997; Jones et al., 1998). Here we characterize compound macular polarization vectors for the utricle and saccule in hatchling chickens. Pulsed linear acceleration stimuli were presented in two axes, the dorsoventral (DV, +/- Z axis) to isolate the saccule, and the interaural (IA, +/- Y axis) to isolate the utricle. Traditional signal averaging was used to resolve responses recorded from the surface of the skull. Latency and amplitude of eighth nerve components of the linear VsEP were measured. Gravity receptor responses exhibited clear preferences for one stimulus direction in each axis. With respect to each utricular macula, lateral translation in the IA axis produced maximum ipsilateral response amplitudes with substantially greater amplitude intensity (AI) slopes than medially directed movement. Downward caudal motions in the DV axis produced substantially larger response amplitudes and AI slopes. The results show that the macula lagena does not contribute to the VsEP compound polarization vectors of the sacculus and utricle. The findings suggest further that preferred compound vectors for the utricle depend on the pars externa (i.e. lateral hair cell field) whereas for the saccule they depend on pars interna (i.e. superior hair cell fields). These data provide evidence that maculae saccule and utricle can be selectively evaluated using the linear VsEP.

NASA Discipline Developmental Biology↗

NASA NTRS2010

Heliophysics 2009 Roadmap and Global Change: Possibilities for Improved Understanding of the Connection

Heliophysics is the science that includes all aspects of the research needed to understand the Sun and its effects on the Earth and the solar system. Six science targets: 1. Origins of Near-Earth Plasma - to understand the origin and transport of terrestrial plasma from its source to the magnetosphere and solar wind. 2. Solar Energetic Particle Acceleration and Transport - to understand how and where solar eruptions accelerate energetic particles that reach Earth. 3. Ion-Neutral Coupling in the Atmosphere - to understand how neutral winds control ionospheric variability. 4. Climate Impacts of Space Radiation - to understand our atmosphere s response to auroral, radiation belt, and solar energetic particles, and the associated effects on nitric oxide (NO) and ozone. 5. Dynamic Geospace Coupling - to understand how magnetospheric dynamics provides energy into the coupled ionosphere-magnetosphere system. 6. Heliospheric Magnetics - to understand the flow and dynamics of transient magnetic structures form the solar interior to Earth.

Spann, Jim↗

NASA NTRS2012

Dynamically Reconfigurable Systolic Array Accelerator

A polymorphic systolic array framework has been developed that works in conjunction with an embedded microprocessor on a field-programmable gate array (FPGA), which allows for dynamic and complimentary scaling of acceleration levels of two algorithms active concurrently on the FPGA. Use is made of systolic arrays and a hardware-software co-design to obtain an efficient multi-application acceleration system. The flexible and simple framework allows hosting of a broader range of algorithms, and is extendable to more complex applications in the area of aerospace embedded systems. FPGA chips can be responsive to realtime demands for changing applications needs, but only if the electronic fabric can respond fast enough. This systolic array framework allows for rapid partial and dynamic reconfiguration of the chip in response to the real-time needs of scalability, and adaptability of executables.

Dasu, Aravind↗

NASA NTRSDate not supplied

Diagnosing Changes In Earth's Top-Of-Atmosphere Radiation Budget Since 2000

Earth’s radiation budget (ERB) is a key indicator of the climate system as it describes the delicate balance between how much of the sun’s energy reaching Earth is absorbed and how much thermal infrared radiation is emitted back to space. It is now well established that there is a positive net imbalance in ERB of 0.5-1 Wm-2. This imbalance, referred to as Earth’s Energy Imbalance (EEI), is shaped by natural and anthropogenic climate forcings and the climate system’s response to the forcing.When averaged over a long period, a positive EEI leads to an increase in surface temperature, sea levelrise, ocean heat content, melting of snow and sea-ice, and an acceleration of the hydrological cycle.EEI is also influenced by internal climate variability at interannual (e.g., El Niño/Southern Oscillation(ENSO)) and longer timescales (e.g., Pacific Decadal Oscillation (PDO)). Here we use CERES data toshow that since 2000, EEI has been increasing at a rate of 0.04+-0.03 Wm-2 per yr, corresponding to 0.8 Wm-1 over the 20-year CERES record. To understand the underlying causes for this increase, we analyze the CERES data in the context of internal climate variability indices and regional pattern changes. We also perform a partial radiative perturbation analysis that decomposes the TOA SW and LW radiation variations in terms of contributions by clouds, aerosols, surface albedo, temperature,water vapor and other gases (e.g., ozone, carbon dioxide, methane, etc.).

Norman G Loeb↗

NASA NTRS2022

Scientist-Stakeholder Relationships Drive Carbon Data Product Transfer Effectiveness within NASA Program

Carbon cycle science is at the heart of research on global climate change and its long-term impacts, as it examines the exchange of carbon between the atmosphere, oceans, land, and the impact of fossil fuel emissions on this cycling. Given the urgency of the climate challenge, NASA’s Carbon Monitoring System (CMS) requires all funded investigators to identify and work with stakeholder organizations at project inception to accelerate the transfer of the products developed by funded research into decision making systems. In this study, we contribute to the literature through the implementation of a quantitative analysis of 908 unique survey responses from funded investigators to explore the maturity of the scientist-stakeholder engagement. The paper employs multiple correspondence analysis to provide evidence to support policy options to increase stakeholder integration into research programs. Despite limitations of the dataset used, we demonstrated that multiple funding rounds, long-standing relationships between the stakeholder and scientist, and the scientific productivity of the PI, including the ability to produce datasets and research papers on these datasets, all contribute to carbon products moving from research to operational use. The maturity of relationships between scientists and stakeholders was shown to result improved stakeholder engagement. The use of carbon products should be identified in every stage of the program, and that capacity building is needed to support both existing and newly identified stakeholders better understand and use CMS products. As Federal, State, and local policy on climate adaptation and mitigation matures, the need for information on carbon will expand. Building of stakeholder-scientist relationships in CMS results in an effective generation and use of datasets to support this need and prototype ways that improved information needed for decision making can be created.

Monitoring↗

NASA NTRS2022

Scientist-Stakeholder Relationships Drive Carbon Data Product Transfer Effectiveness within NASA Program

Carbon cycle science is at the heart of research on global climate change and its long-term impacts, as it examines the exchange of carbon between the atmosphere, oceans, land, and the impact of fossil fuel emissions on this cycling. Given the urgency of the climate challenge, NASA's Carbon Monitoring System (CMS) requires all funded investigators to identify and work with stakeholder organizations at project inception to accelerate the transfer of the products developed by funded research into decision making systems. In this study, we contribute to the literature through the implementation of a quantitative analysis of 908 unique survey responses from funded investigators to explore the maturity of the scientist-stakeholder engagement. The paper employs multiple correspondence analysis to provide evidence to support policy options to increase stakeholder integration into research programs. Despite limitations of the dataset used, we demonstrated that multiple funding rounds, long-standing relationships between the stakeholder and scientist, and the scientific productivity of the Principal Investigator, including the ability to produce datasets and research papers on these datasets, all contribute to carbon products moving from research to operational use. The maturity of relationships between scientists and stakeholders was shown to result improved stakeholder engagement. The use of carbon products should be identified in every stage of the program, and that capacity building is needed to support both existing and newly identified stakeholders better understand and use CMS products. As federal, state, and local policy on climate adaptation and mitigation matures, the need for information on carbon will expand. Building of stakeholder-scientist relationships in CMS results in an effective generation and use of datasets to support this need and prototype ways that improved information needed for decision making can be created.

Molly E Brown↗

DOE OSTI2021

Structural dynamics modeling of spent nuclear fuel during hypothetical package drop events

The response of spent nuclear fuel (SNF) to hypothetical package drop events is of particular interest in the scope of spent fuel storage and transportation because of the mechanical shock encountered in such scenarios. Previous testing and modeling by the U.S. Department of Energy has demonstrated that the shock and vibration environment of normal shipping and handling conditions (excluding package drop events) is relatively benign and does not challenge the integrity of spent nuclear fuel. Cask drop events are worth considering because SNF packages are required to withstand free drops onto unyielding surfaces as part of their licensing basis. The acceleration experienced during drop events can be orders of magnitude higher, and thus more advanced models are needed to encompass potential nonlinear behavior of the fuel, such as spacer grid buckling and rod-to-rod impact. This work describes a number of finite element models developed to calculate the response of spent nuclear fuel to various hypothetical drop events that have been validated by package and fuel assembly drop tests conducted in the last decade. Sensitivity of the model response to factors such as package drop orientation, secondary impacts, and irradiated material properties as well as their potential impacts to fuel cladding integrity, was also investigated. Cask drops are not expected as a regular occurrence during SNF transportation, but this work helps raise the understanding of SNF mechanical loads to the point of consistency with the package design requirements.

Kadooka, Kevin↗

NASA NTRS1995

Modeling the vestibulo-ocular reflex of the squirrel monkey during eccentric rotation and roll tilt

Model simulations of the squirrel monkey vestibulo-ocular reflex (VOR) are presented for two motion paradigms: constant velocity eccentric rotation and roll tilt about a naso-occipital axis. The model represents the implementation of three hypotheses: the "internal model" hypothesis, the "gravito-inertial force (GIF) resolution" hypothesis, and the "compensatory VOR" hypothesis. The internal model hypothesis is based on the idea that the nervous system knows the dynamics of the sensory systems and implements this knowledge as an internal dynamic model. The GIF resolution hypothesis is based on the idea that the nervous system knows that gravity minus linear acceleration equals GIF and implements this knowledge by resolving the otolith measurement of GIF into central estimates of gravity and linear acceleration, such that the central estimate of gravity minus the central estimate of acceleration equals the otolith measurement of GIF. The compensatory VOR hypothesis is based on the idea that the VOR compensates for the central estimates of angular velocity and linear velocity, which sum in a near-linear manner. During constant velocity eccentric rotation, the model correctly predicts that: (1) the peak horizontal response is greater while "facing-motion" than with "back-to-motion"; (2) the axis of eye rotation shifts toward alignment with GIF; and (3) a continuous vertical response, slow phase downward, exists prior to deceleration. The model also correctly predicts that a torsional response during the roll rotation is the only velocity response observed during roll rotations about a naso-occipital axis. The success of this model in predicting the observed experimental responses suggests that the model captures the essence of the complex sensory interactions engendered by eccentric rotation and roll tilt.

NASA Discipline Neuroscience↗