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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.

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At least 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Electronic signatures of Lorentzian dynamics and charge fluctuations in lithiated graphite structures

Lithium graphite intercalation compounds (Li-GICs) are essential materials for modern day portable electronics and obtaining insights into their atomic structure and thermodynamics is of fundamental interest. Here we explore the electronic and atomic states of Li-GICs at varying degrees of Lithium loading (i.e., “staging”) by means of ab-initio molecular dynamics simulations and simulated X-ray adsorption spectroscopy (XAS). We analyze the atomic correlation functions and shows that the enhancements of the Li-ion entropy with increased staging result from Lorentzian lithium-ion dynamics and charge fluctuations, which activate low-energy phonon modes. The associated electronic signatures are modulations of the unoccupied π*/σ* orbital energy levels and unambiguous fingerprints in Carbon K-edge XAS spectra. Thus, we extend the canonical view of XAS, establishing that these “static” measurements in fact encode the signature of the thermodynamic response and relaxation dynamics of the system. This causal link between atomic structure, spectroscopy, thermodynamics, and information theory can be generally exploited to better understand stability in solid-state electrochemical systems.

25 ENERGY STORAGE↗
DOE OSTI2020

Progress Toward Molten Salt Reactor Heat Exchanger On-Line Monitoring

Within virtually all reactor systems with heat exchangers, the thinnest barriers between primary and secondary fluids are the heat exchanger tubes. Consistent with light water reactor experience, the advanced reactor heat exchangers are the most susceptible regions for corrosion and leakage (NRC, 2019). Moreover, traditional inspections and repairs using robotics will be expensive or impractical. On-line structural health corrosion monitoring (OLSHM) is therefore desirable to detect tube degradation prior to leaks that may allow mixing of heat exchanger fluids. Rhetorically many molten salt reactor (MSR) designers plan for on-line monitoring of critical reactor components including heat exchangers but there are no proven OLSHM sensors or systems for MSR heat exchangers. Guided wave ultrasound from the tube-end or ID using conventional low-temperature piezoelectric sensors has been shown to be sensitive to pits and cracks less than 50% through-wall in long pipes and tubes (Narayanan M.M., 2019) . Mode and frequency selection are important for practical sensor design decisions and ultimate performance. The L-0 wave-mode is easily excited by L-mode transducers but they have surface normal wave motion that will be sensitive to and more attenuative because of fluid interaction with the tube surface (Rose J.L., 1994). Shear Horizontal (SH) wave modes have material motion parallel to the tube surface therefore are virtually unaffected by fluid interaction. For SH-0 to be nondispersive in steel, the frequency-thickness product (MHz-mm) must be less than approximately 1.5. SH mode transducers must be coupled by a material that can support shear stress; a thin layer of honey works well for temporary sensors and an adhesive or a brazed metallurgical bond for permanent sensors. If sensors are incorporated into the fabrication process, the same kinds of SH-0 waves can be generated from the stagnant flow area of the tube OD without compromising the heat-exchange tube function. Piezoelectric materials are also available that can withstand harsh temperatures of molten salt heat exchangers (Stevenson T., 2015) (Machura et al., 2008). Though they may not have as high-performance characteristics, their performance only needs to be good enough to detect flaws of interest. This project attempts to demonstrate feasibility to develop a sensor that can be sensitive to flaws of interest and perform long-term monitoring of a molten salt reactor heat exchanger. Benefits to the advanced reactor system include: • Minimizing the expense of a reactor shut down for periodic inspection—only shutdown for cause. • Reduce risk of unexpected tube rupture by detecting flaws before they grow to through-wall leaks. • Cost reduction by minimizing need to design for manual/robotic inspectability. Transducer design, characterization of the beam profile, and ultrasonic pulse-echo responses from a representative heat exchange tube with fabricated flaw types are discussed.

On-Line Tube Monitor, Guided Wave Ultrasound, SH-0↗
DOE OSTI2020

Dynamic response functions of two-dimensional Dirac fermions with screened Coulomb and short-range interactions

Here, we consider a screened Coulomb interaction between electrons in graphene and determine their dynamic response functions, such as a longitudinal and a transverse electric conductivity and a polarization function and compare them to the corresponding quantities in the short-range interaction model. The calculations are performed to all orders for short-range interaction by taking into account the self-energy renormalization of the electron velocity and using a ladder approximation to account for the vertex corrections, ensuring that the Ward identity (charge conservation law) is satisfied. Our findings predict a resonant response of interacting electron-hole pairs at a particular frequency below the threshold $\textit{qv = ω}$ and further predict an instability for sufficiently strong interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Bio‐Based Piezo‐ and Thermoresistive Photocurable Sensing Materials from Acrylated Epoxidized Soybean Oil

Abstract Bio‐based photocurable polymers are increasingly in demand as environmentally friendly materials for advanced applications. Together with functional fillers, these represent a next step for the generation of functional and active smart materials, compatible with additive manufacturing technologies. Herein, acrylated epoxidized soybean oil (AESO) mixed with different amounts of reduced graphene oxide (rGO) up to 6 wt% in order to obtain UV‐curable piezoresistive and thermoresistive materials, is reported. It is shown that the addition of rGO to AESO hinders the curing process, but always maintains double bond conversions higher than 50%. Composites are characterized by a good dispersion of micrometric filler clusters. Further, the thermal stabilities are close to 300 °C and crosslinking degrees are above 1.75 mmol cm –3 . The Young modulus of the composites decreases with the addition of the rGO fillers, in particular for the higher filler contents, and electrical conductivities up to 0.13 S m –1 are obtained for the composites with the highest rGO content. UV‐curable composites with piezoresistive and thermoresistive responses suitable for applications are thus obtained, characterized by gauge factors around 26 for deformations up to 2% and maximum thermoresistive sensitivity of S = 0.43, values similar to the values obtained for petroleum‐based materials.

Mendes‐Felipe, Cristian↗
DOE OSTI2025

Ensemble cure kinetics network (ECK-Net): A method to derive cure kinetics of thermosetting resin

This paper introduces an Ensemble Cure Kinetics Network (ECK-Net), a neural network (NN)–based framework for modeling the cure kinetics of thermosetting resins within a phenomenological context. ECK-Net replaces traditional analytic models, which require extensive chemical insight and multiple isothermal/non-isothermal experiments, with a data-driven surrogate that maps nonlinear relationships between temperature, degree of cure, and reaction rate from differential scanning calorimetry data. The proposed approach predicts input-dependent kinetic coefficients of a generalized nth-order reaction equation rather than reaction rates directly, enabling a single unified model to represent various epoxy systems without relying on iso-conversional analysis or predefined functional forms. To ensure robustness, multiple independently trained networks under different random initializations are blended through an ensemble strategy, effectively mitigating the stochastic variability inherent to neural networks. The framework is validated using experimental datasets from multiple resin systems, including aerospace-grade materials (Toray 3900-2, Cycom 5320-1, and Hexcel 8552) and a windmill-grade resin (RIMR 035c). The model accurately reproduces the temporal evolution of the degree of cure under manufacturers’ recommended cure cycles across all tested resins systems, yielding Pearson’s correlation coefficients of 0.992, 0.994, 0.993, 0.997, respectively. To demonstrate process-level applicability, the trained network was implemented within the Abaqus environment to simulate out-of-autoclave (OOA) curing process of the CFRP panel composed of Toray T830H-6K/3900-2D prepreg. The simulation results showed excellent agreement with experimental temperature response (maximum peak temperature, simulation: 189.6 °C, experiment: 188.5 °C) and the final degree of cure (simulation: 0.948, experiment: 0.960 ± 0.013), confirming ECK-Net’s capability as a reliable alternative to conventional cure kinetics modeling methods.

Composite curing↗
DOE OSTI2025

Passive radiative thermal management using phase-change metasurfaces

Abstract Realizing innovative composite materials with passive thermal management capabilities and minimal ecological footprints is a challenging but much sought-after goal that would have a transformative effect on renewable energy sciences. We demonstrate an environmentally friendly metasurface utilizing vanadium dioxide (VO 2 ) that offers responsiveness to ambient temperature and potentially long-term stability. The metasurface enables passive thermal management by self-adjusting its absorptivity and emissivity response over a broad bandwidth ranging from visible to mid-infrared (IR) wavelengths. Above the VO 2 phase transition the metasurface exhibits increased mid-IR emissivity and reduced visible/near-IR absorptivity, creating an efficient radiative emission channel in the first atmospheric transparency window with reduced absorption of solar radiation. In contrast, below VO 2 ’s transition temperature, the metasurface increasingly absorbs sun light while minimizing mid-IR radiative heat losses. Moreover, a functional silicon layer eliminates the need for an additional capping layer commonly employed to protect VO 2 from environmental degradation. The additional protective layer often impedes the use and performance of VO 2 based devices in terrestrial as well as spacecraft applications. Therefore, the proposed durable and eco-friendly metasurface will be an excellent candidate for essential passive thermal regulation systems across residential and terrestrial applications.

42 ENGINEERING↗
NASA NTRS1999

Mars Surface Ionizing Radiation Environment: Need for Validation

Protection against the hazards from exposure to ionizing radiation remains an unresolved issue in the Human Exploration and Development of Space (HEDS) enterprise [1]. The major uncertainty is the lack of data on biological response to galactic cosmic ray (GCR) exposures but even a full understanding of the physical interaction of GCR with shielding and body tissues is not yet available and has a potentially large impact on mission costs. "The general opinion is that the initial flights should be short-stay missions performed as fast as possible (so-called 'Sprint' missions) to minimize crew exposure to the zero-g and space radiation environment, to ease requirements on system reliability, and to enhance the probability of mission success." The short-stay missions tend to have long transit times and may not be the best option due to the relatively long exposure to zero-g and ionizing radiation. On the other hand the short-transit missions tend to have long stays on the surface requiring an adequate knowledge of the surface radiation environment to estimate risks and to design shield configurations. Our knowledge of the surface environment is theoretically based and suffers from an incomplete understanding of the physical interactions of GCR with the Martian atmosphere, Martian surface, and intervening shield materials. An important component of Mars surface robotic exploration is the opportunity to test our understanding of the Mars surface environment. The Mars surface environment is generated by the interaction of Galactic Cosmic Rays (GCR) and Solar Particle Events (SPEs) with the Mars atmosphere and Mars surface materials. In these interactions, multiple charged ions are reduced in size and secondary particles are generated, including neutrons. Upon impact with the Martian surface, the character of the interactions changes as a result of the differing nuclear constituents of the surface materials. Among the surface environment are many neutrons diffusing from the Martian surface and especially prominent are energetic neutrons with energies up to a few hundred MeV. Testing of these computational results is first supported by ongoing experiments at the Brookhaven National Laboratory but equally important is the validation to the extent possible by measurements on the Martian surface. Such measurements are limited by power and weight requirements of the specific mission and simplified instrumentation by necessity lacks the full discernment of particle type and spectra as is possible with laboratory experimental equipment. Yet, the surface measurements are precise and a necessary requisite to validate our understanding of the surface environment. At the very minimum the surface measurements need to provide some spectral information on the neutron environment. Of absolute necessity is the precise knowledge of the detector response functions for absolute comparisons between the computational model of the surface environment and the detector measurements on the surface.

Wilson, J. W.↗
DOE OSTI2024

Modeling oxygen reduction activity loss mechanisms in atomically dispersed Fe–N–C electrocatalysts

Materials degradation is a major factor that limits the wider adoption of renewable and clean energy technologies. This is particularly true for the Pt group metal-free (PGM-free) atomically dispersed metal-nitrogen-carbon (M-N-C) catalysts. Here, while many experimental studies have investigated and reported the phenomenological aspects of M-N-C degradation, only a few modeling studies have considered degradation mechanisms at the atomic level. Understanding the mechanisms responsible for activity loss occurring in atomically dispersed M-N-C’s is crucial towards rationally designing active, durable, and less expensive Earth-abundant catalysts. Towards this end, we have surveyed recent literature concerning the modeling of corrosion mechanisms that impact M-N-C catalysts (Fe–N–C, in particular) and offer our own perspectives on the future direction of this field.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A crystal-plasticity-informed Gaussian Process Regression model to capture anisotropy in single crystal shape memory alloys

This work presents a machine learning (ML) framework that model the anisotropic actuation responses in a shape memory alloy. A Gaussian Process Regression (GPR) based ML model is trained on a set of different crystal orientations subjected to different actuation conditions. The training employed thermo-mechanical responses from a crystal-plasticity model that captures phase-transformation, stress-induced plasticity, and transformation-induced plasticity. Further, on training the GPR-ML model at fixed stress level for different orientations, it captured the thermo-mechanical responses accounting for the anisotropy, and predicted responses for new orientations with good accuracy. The GPR-ML model is able to capture the transformation temperature variations even when trained using multiple stress levels, and the transformation strain showed significant deviations. The developed GPR-ML model gave reasonable predictions for an unexplored sample set of orientations and loading conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Many-body enhancement of high-harmonic generation in monolayer MoS2

Abstract Many-body effects play an important role in enhancing and modifying optical absorption and other excited-state properties of solids in the perturbative regime, but their role in high harmonic generation (HHG) and other nonlinear response beyond the perturbative regime is not well-understood. We develop here an ab initio many-body method to study nonperturbative HHG based on the real-time propagation of the non-equilibrium Green’s function with the GW self energy. We calculate the HHG of monolayer MoS 2 and obtain good agreement with experiment, including the reproduction of characteristic patterns of monotonic and nonmonotonic harmonic yield in the parallel and perpendicular responses, respectively. Here, we show that many-body effects are especially important to accurately reproduce the spectral features in the perpendicular response, which reflect a complex interplay of electron-hole interactions (or exciton effects) in tandem with the many-body renormalization and Berry curvature of the independent quasiparticle bandstructure.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

ISS Payload Operations Training During the COVID-19 Pandemic: Impacts and Solutions

The onset of the COVID-19 pandemic brought a dramatic and rapid transformation to almost every aspect of humanity in 2020. The world’s space agencies and their missions were not immune to the wide-sweeping changes. One discipline principally affected was mission operations and the various groups supporting that function. Mission support teams, especially for complex and crewed missions like the International Space Station were forced to rapidly rethink how and where control center staff performed their vital work. Operations training – an essential element to mission ops, had unique hurdles to overcome. Operations training is responsible for preparing astronaut crews for their missions, providing training to flight controllers, as well as ensuring that new team members are ready to join their colleagues. Every element of training was impacted by COVID restrictions. From orientation and introductory classes for new controllers, simulations and advanced lessons, On the Job Training and final evaluations; all aspects faced new challenges. Trainers at NASA’s Marshall Space Flight Center in Huntsville, Alabama, were forced to become more efficient with trainees and resources to continue supporting payload operations. The pandemic started in the USA in March 2020. Immediately, NASA mandated that the support for ISS real-time operations was critical. As a result, physical access to key facilities was restricted. Trainers and trainees had to quickly shift to 100 percent remote learning. In the short term, this was not a problem. However, instructors discovered lessons that they were accustomed to delivering in a classroom environment did not translate to remote teaching. Another hurdle to operations training was the mandate that all simulations could only be held remotely. The logistics of even small simulations proved to be challenging due to IT restrictions and public internet limitations. With simulations essentially stopped, as well as the restrictions on most OJT, trainees were essentially stopped in their advancement towards certification. Once limitations were identified, trainers prioritized new options. Transitioning to all electronic learning materials was a relatively easy fix. Teaching to large groups took additional shifts in the training paradigm. Methods for preparing astronauts for their missions were revised. Simulation supervisors found more efficient techniques to provide realistic training experience. Communication and approvals from management was essential. In every case, the payload operations instructors found novel solutions to all functions listed. This paper will discuss the factors and solutions payloads operations trainers found to keep scientific research on the ISS flying forward to mission success.

ISS↗
NASA NTRS2016

Lunar Phase Function at 1064 Nm from Lunar Orbiter Laser Altimeter Passive and Active Radiometry

We present initial calibration and results of passive radiometry collected by the Lunar Orbiter Laser Altimeter onboard the Lunar Reconnaissance Orbiter over the course of 12 months. After correcting for time- and temperature-dependent dark noise and detector responsivity variations, the LOLA passive radiometry measurements are brought onto the absolute radiance scale of the SELENE Spectral Profiler. The resulting photometric precision is estimated to be 5%. We leverage the unique ability of LOLA to measure normal albedo to explore the 1064 nm phase function's dependence on various geologic parameters. On a global scale, we find that iron abundance and optical maturity (quantified by FeO and OMAT) are the dominant controlling parameters. Titanium abundance (TiO2), surface roughness on decimeter to decameter scales, and soil thermo- physical properties have a smaller effect, but the latter two are correlated with OMAT, indicating that exposure age is the driving force behind their effects in a globally-averaged sense. The phase function also exhibits a dependence on surface slope at approximately 300 m baselines, possibly the result of mass wasting exposing immature material and/or less space weathering due to reduced sky visibility. Modeling the photometric function in the Hapke framework, we find that, relative to the highlands, the maria exhibit decreased backscattering, a smaller opposition effect (OE) width, and a smaller OE amplitude. Immature highlands regolith has a higher backscattering fraction and a larger OE width compared to mature highlands regolith. Within the maria, the backscattering fraction and OE width show little dependence on TiO2 and OMAT. Variations in the phase function shape at large phase angles are observed in and around the Copernican-aged Jackson crater, including its dark halo, a putative impact melt deposit. Finally, the phase function of the Reiner Gamma Formation behaves more optically immature than is typical for its composition and OMAT, suggesting the visible-to-near-infrared spectrum and phase function respond differently to the unusual regolith evolution and properties at this location. The phase difference map revealed additional geologically-influenced variations in the phase function's shape. In particular, variations were observed associated with the dark halo around Jackson crater, the impact ejecta of Copernicus and Giordano Bruno, and the Reiner Gamma Formation. For the latter, we 915 found that the phase function behaves more optically immature than the global phase function for its composition and OMAT, suggesting a difference in how the visible-to-near-IR spectrum and phase function respond to the unusual regolith evolution and properties at this location.

moon↗
NASA NTRS2016

Lunar Phase Function at 1064 Nm from Lunar Orbiter Laser Altimeter Passive and Active Radiometry

We present initial calibration and results of passive radiometry collected by the Lunar Orbiter Laser Al- timeter onboard the Lunar Reconnaissance Orbiter over the course of 12 months. After correcting for time- and temperature-dependent dark noise and detector responsivity variations, the LOLA passive radiometry measurements are brought onto the absolute radiance scale of the SELENE Spectral Profiler. The resulting photometric precision is estimated to be approximately 5%. We leverage the unique ability of LOLA to measure normal albedo to explore the 1064 nm phase function's dependence on various geologic parameters. On a global scale, we find that iron abundance and optical maturity (quantified by FeO and OMAT) are the dominant controlling parameters. Titanium abundance (TiO2 ), surface roughness on decimeter to decameter scales, and soil thermophysical properties have a smaller effect, but the latter two are correlated with OMAT, indicating that exposure age is the driving force behind their effects in a globally-averaged sense. The phase function also exhibits a dependence on surface slope at approximately 300 m baselines, possibly the result of mass wasting exposing immature material and/or less space weathering due to reduced sky visibility. Modeling the photometric function in the Hapke framework, we find that, relative to the highlands, the maria exhibit decreased backscattering, a smaller opposition effect (OE) width, and a smaller OE amplitude. Immature highlands regolith has a higher backscattering fraction and a larger OE width compared to mature highlands regolith. Within the maria, the backscattering fraction and OE width show little dependence on TiO2 and OMAT. Variations in the phase function shape at large phase angles are observed in and around the Copernican-aged Jackson crater, including its dark halo, a putative impact melt deposit. Finally, the phase function of the Reiner Gamma Formation behaves more optically immature than is typical for its composition and OMAT, suggesting the visible-to-near-infrared spectrum and phase function respond differently to the unusual regolith evolution and properties at this location.

LOLA↗
NASA NTRS2016

MoonRIDERS: NASA and Hawaiis Innovative Lunar Surface Flight Experiment for Landing in Late 2017

Recently, NASA Kennedy Space Center, Hawaii's state aerospace agency PISCES, and two Hawaii high schools Iolani and Kealakehe have come together in a unique collaboration called MoonRIDERS. This strategic partnership will allow Hawaii students to participate directly in sending a science experiment to the surface of the moon. The MoonRIDERS project started in the spring of 2014, with each institution responsible for its own project costs and activities. PISCES, given its legislative direction in advancing planetary surface systems, saw this collaboration as an important opportunity to inspire a young generation and encourage STEM (Science, Technology, Engineering, and Mathematics) learning. Under the guidance of PISCES and NASA, the students will be involved hands-on from start to finish in the engineering, testing, and validation of a space technology called the Electrodynamic Dust Shield (EDS). Dust is a critical issue for space exploration, as evidenced by the Apollo lunar missions and Mars rovers and landers. Dust creates a number of problems for humans and hardware, including inhalation, mechanical interference, wear and tear on spacesuits, inhibition of heat transfer on radiators, and reduced efficiency of solar panels. To address this, the EDS is designed to work on a variety of materials, and functions by generatingelectrodynamic fields to clear away the dust. The Google Lunar XPRIZE (GLXP), a space competition "designed to inspire pioneers to do robotic space transport on a budget," serves as a likely method for the MoonRIDERS to get their project to the moon. The EDS would potentially be flown as a hosted payload on a competitor's lander (still to be chosen). This briefing will provide an overview of the technology, the unique partnership, progress update and testing leading to this flight opportunity.

Payload experiment↗
NASA NTRS2022

ISS Payload Operations Training Throughout the COVID-19 Pandemic: Impacts, Opportunities and Solutions

The onset of the COVID-19 pandemic brought a dramatic and rapid transformation to almost every aspect of humanity. The world’s space agencies and their missions were not immune to the wide-sweeping changes. One discipline principally affected was mission operations and the various groups supporting that function. Mission support teams, especially for complex and crewed missions like the International Space Station (ISS) were forced to rethink how and where control center staff performed their vital work. Operations training – an essential element to mission ops, had unique hurdles to overcome. Operations training is responsible for preparing astronaut crews for their missions, training and certifying flight controllers, as well as ensuring that new team members are ready to join their colleagues. Every element of training was impacted during the pandemic. From orientation and introductory classes for new controllers, simulations, and advanced lessons, On the Job Training (OJT) and final evaluations; all aspects faced challenges. Trainers at NASA’s Marshall Space Flight Center in Huntsville, Alabama were forced to become more efficient with trainees and resources to continue supporting ISS payload operations. The pandemic arrived in the USA in March 2020. Immediately, NASA mandated that the support for ISS real-time operations was critical. As a result, physical access to key facilities was restricted. Trainers and trainees had to quickly shift to 100% remote learning. In the short term, this was not a problem. However, instructors discovered lessons they were accustomed to delivering in a classroom environment often did not translate to remote teaching. Another hurdle to operations training was the mandate that all simulations could only be held remotely. The logistics of even small simulations proved to be challenging due to Information Technology (IT) restrictions and public internet limitations. With simulations essentially halted, as well as the restrictions on most OJT, trainees were essentially stopped in their advancement towards certification. Once limitations were identified, trainers prioritized new options. Transitioning to all electronic learning materials was a relatively easy fix. Teaching to large groups took additional shifts in the training paradigm. Methods for preparing astronauts for their missions were revised. Simulation supervisors found efficient techniques to provide realistic training experiences. Communication and coordination with management was essential. In every case, the payload operations instructors found novel solutions to all functions listed. This paper discusses the factors and solutions payloads operations trainers found to keep scientific research on the ISS flying forward to mission success.

ISS↗
DOE OSTI2020

Plasmon excitations in chemically heterogeneous nanoarrays

The capability of collective excitations, such as localized surface plasmon resonances, to produce a versatile spectrum of optical phenomena is governed by the interactions within the collective and single-particle responses in the finite system. In many practical instances, plasmonic metallic nanoparticles and arrays are either topologically or chemically heterogeneous, which affects both the constituent transitions and their interactions. Here, the formation of collective excitations in weakly Cu- and Pd-doped Au nanoarrays is described using time-dependent density functional theory. The additional impurity-induced modes in the optical response can be thought to result from intricate interactions between separated excitations or transitions. In this work, we investigate the heterogeneity at the impurity level, the symmetry aspects related to the impurity position, and the influence of the impurity position on the confinement phenomena. The chemically rich and symmetry-dependent quantum mechanical effects are analyzed with transition contribution maps demonstrating the possibility to develop nanostructures with more controlled collective properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Pressure-dependent phase transitions in hybrid improper ferroelectric Ruddlesden-Popper oxides

The temperature-dependent phase transitions in Ruddlesden-Popper oxides with perovskite bilayers have been under increased scrutiny in recent years due to the so-called hybrid improper ferroelectricity that some chemical compositions exhibit. However, little is currently understood about the hydrostatic pressure dependence of these phase transitions. Herein we present the results of a combined high-pressure powder synchrotron x-ray diffraction experiment and a b i n i t i o study on the bilayered Ruddlesden-Popper phases Ca 3 Mn 2 O 7 and Ca 3 Ti 2 O 7 . In both compounds we observe a first-order phase transition, that in combination with our density functional theory calculations, we can confidently assign as being between polar A 2 1 a m and nonpolar A c a a structures. Interestingly, we show that while the application of pressure ultimately favors a nonpolar phase, as is commonly observed for proper ferroelectrics, regions of response exist where pressure actually acts to increase the polar mode amplitudes. The reason for this can be untangled by considering the varied response of octahedral tilts and rotations to hydrostatic pressure and their trilinear coupling with the polar instability. Published by the American Physical Society 2024

Materials Science↗
DOE OSTI2022

Autonomous System Subversion Tactics: Prototypes and Recommended Countermeasures

One of the fielding requirements for Advanced and Small Modular Reactors (AR/SMR) is the ability to support remote and autonomous operations. Autonomous Control Systems (ACS) are found on platforms such as Autonomous Space Vehicles, Cruise Missiles, and advanced driver-assistance systems. Each of these ACS implementations depends upon a set of decision support subsystems responsible for supporting Autonomous Mission Managers (names vary based upon field and author preferences). These Autonomous Mission Managers receive inputs from system sensors (e.g., LIDAR collection from an automobile travelling down a street; transients from a nuclear reactor), and perform a set of classifications (e.g., Red Traffic Light; Small Pedestrian at 10m; Load Rejection; Single Coolant Pump Trip), and then use these classifications in combination with recommendation algorithms to achieve platform goals (e.g., Stop the Vehicle at the Traffic Light, Avoid the Small Pedestrian; Trip the Reactor to prevent a Safety Event). The design, implementation, and fielding of an ACS capability will alter the cyber-attack surface such that existing risk management plans will need to be updated to include how to protect and defend against data-science and decision-support-system attack classes. These attack classes would include protection of the design and training environments where algorithm selection and testing and training data would be obvious attack vectors. These attack classes would also require an informed set of detection and response procedures to identify anomalous behaviors and document best practices for anomaly assessment and vulnerability mitigation and remediation. Last year we published a Cyber Threat Assessment Methodology for Autonomous and Remote Operations for AR/SMRs along with a companion publication on Cyber Attack and Defense Use Cases. The focus of the methodology was on describing and enumerating ACS processes, components, and functions such that security engineers could: evaluate subversion options against the target; identify threat actor attributes and capabilities derived from each subversion option; and identify security controls and response countermeasures. The Use Cases document offered detailed methodology examples including an assessment of a Military Base SMR, an Autonomous System Decision Loop, and implementation of AR/SMR Machine Learning algorithms. Our proposal at the end of last year was to focus on implementation of subversion prototypes related to the last Use Case area: AR/SMR Machine Learning (ML) Algorithms. We included six attack scenarios in our Use Cases paper: a Poisoning Attack against ML functions implemented using an FPGA; a Trojaning Attack against ML classifiers exploiting the excitability of Nuclear Engineers; a Backdooring Attack against ML Training environments to ensure persistence of an attack vector; a False Positive Evasion Attack against multi-factor Access Control Systems using clever inputs; an Inference Attack against ML models by an Insider with access to the Operational environment; and an Adversarial Reprogramming Attack against a Material Access Control Video Surveillance System. At the beginning of this year these six attack scenarios were provided to our research teams at Georgia Tech and Idaho State University and each team successfully implemented a subversion attack against a ML implementation to include transient misclassifications. While this is a notable outcome from this type of research, this paper offers the reader insight into not only how to structure and execute these types of attacks, but into the thought process behind how the researcher investigated the problem space, performed initial algorithm implementation, and the trial-and-error behind arriving at the successful subversion prototypes. We include in this paper a set of associated Scenarios on how these subversion prototypes could be implemented and an initial set of guidance for AR/SMR architects, Nuclear Regulators, and Cyber Defenders to implement awareness and defense capabilities into their current operational portfolios.

42 ENGINEERING↗