Results for “Self Identify” — Page 32

NASA NTRSDate not supplied

Developing and Testing Two Interfaces for Supplemental Data Service Provider (SDSP) Tools to Support UAS Traffic Management (UTM)

Researchers conducted a usability study using two graphical user interfaces (GUIs) to explore how individuals interpret and interact with different preflight information displays, and to inform the development of Uncrewed Aircraft System (UAS) preflight planning predictive support tools to assess and mitigate flight hazards and risks. A series of preflight risk-assessment tasks were developed to evaluate participant performance using the Supplemental Data Service Provider-Consolidated Dashboard (SDSP-CD) and the Human Automation Team Interface System (HATIS) GUIs. Participants were trained to use both interfaces and their performance was evaluated. These evaluations focused on participants’ preflight planning activities. Objective data on performance tasks across different scenarios involving multi-UASs, as well as self-reports of interactions and subjective experiences using the GUIs were collected. Scores on the system usability scale (SUS) and on a simple task set were examined, as well as user feedback on open-ended questions, to inform development and identify potential improvements to the interfaces.

sUAAV interfaces↗

NASA NTRSDate not supplied

Experimental Testing of Advanced Generalized Predictive Control for Stability Augmentation and Vibration Reduction of Tiltrotor Aircraft

Generalized Predictive Control (GPC) is an advanced form of an adaptive control algorithm that uses experimentally acquired data to determine the input-output relationship of complex systems through a process called system identification (system ID). GPC has historically been applied to wind tunnel tests of dynamically-scaled tiltrotor aircraft for stability augmentation and vibration reduction since the complex nature of these dynamic systems does not lend itself well to traditional control theory. Advanced GPC (AGPC) improves upon traditional GPC by enabling self-adaptation as conditions change from those used to acquire the system ID and controller performance would normally erode. The present research expands upon previous analytical development and demonstration of AGPC with experimental demonstration. To support AGPC, this present work also identifies and describes figures of merit that define a good working controller and quantifies the uniqueness of the control inputs and quality of the system ID parameters. The present research demonstrates that AGPC consistently performs better than traditional GPC and can successfully adapt to changing conditions.

Active Controls↗

NASA NTRS2000

On-Line, Self-Learning, Predictive Tool for Determining Payload Thermal Response

This paper will present the results of a joint ManTech / Goddard R&D effort, currently under way, to develop and test a computer based, on-line, predictive simulation model for use by facility operators to predict the thermal response of a payload during thermal vacuum testing. Thermal response was identified as an area that could benefit from the algorithms developed by Dr. Jeri for complex computer simulations. Most thermal vacuum test setups are unique since no two payloads have the same thermal properties. This requires that the operators depend on their past experiences to conduct the test which requires time for them to learn how the payload responds while at the same time limiting any risk of exceeding hot or cold temperature limits. The predictive tool being developed is intended to be used with the new Thermal Vacuum Data System (TVDS) developed at Goddard for the Thermal Vacuum Test Operations group. This model can learn the thermal response of the payload by reading a few data points from the TVDS, accepting the payload's current temperature as the initial condition for prediction. The model can then be used as a predictive tool to estimate the future payload temperatures according to a predetermined shroud temperature profile. If the error of prediction is too big, the model can be asked to re-learn the new situation on-line in real-time and give a new prediction. Based on some preliminary tests, we feel this predictive model can forecast the payload temperature of the entire test cycle within 5 degrees Celsius after it has learned 3 times during the beginning of the test. The tool will allow the operator to play "what-if' experiments to decide what is his best shroud temperature set-point control strategy. This tool will save money by minimizing guess work and optimizing transitions as well as making the testing process safer and easier to conduct.

Jen, Chian-Li↗

DOE OSTI2021

Self-assembled multifunctional nanostructures for surface passivation and photon management in silicon photovoltaics

This work reports the fabrication and characterization of multifunctional, nanostructured passivation layers formed using a self-assembly process that provide both surface passivation and improved light trapping in crystalline silicon photovoltaic (PV) cells. Scalable block copolymer self-assembly and vapor phase infiltration processes are used to form arrays of aluminum oxide nanostructures (Al 2 O 3 ) on crystalline silicon without substrate etching. The Al 2 O 3 nanostructures are characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), and spectroscopic ellipsometry. Injection-level dependent photoconductance measurements are used to determine the effective carrier lifetime of the samples to confirm the nanostructures successfully passivate the Si surface. Finite element method simulations and reflectance measurement show that the nanostructures increase the internal rear reflectance of the PV cell by suppressing the parasitic optical losses in the metal contact. An optimized morphology of the structures is identified for their potential use in PV cells as multifunctional materials providing surface passivation, photon management, and carrier transport pathways.

14 SOLAR ENERGY↗

DOE OSTI2022

Bio-inspired non self-similar hierarchical elastic metamaterials

Hierarchy provides unique opportunities for the design of advanced materials with superior properties that arise from architecture, rather than from constitutive material response. Contrary to the quasi-static regime, where the potential of hierarchy has been largely explored, its role in vibration mitigation and wave manipulation remains elusive. So far, the majority of the studies concerning hierarchical elastic metamaterials have proposed a self-similar repetition of a specific unit cell at multiple scale levels, leading to the activation of the same bandgap mechanism at different frequencies. On the contrary, here, we show that by designing non self-similar hierarchical geometries allows us to create periodic structures supporting multiple, highly attenuative and broadband bandgaps involving (independently or simultaneously) different scattering mechanisms, namely, Bragg scattering, local resonance and/or inertial amplification, at different frequencies. The type of band gap mechanism is identified and discussed by examining the vibrational mode shapes and the imaginary component of the wavenumber in the dispersion diagram of the unit cell. Finally, we also experimentally confirm this by performing measurements in the lowest frequency regime on a 3D printed structure. Hierarchical design strategies may find application in vibration mitigation for civil, aerospace and mechanical engineering.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Molecular Layer Etching of Metalcone Films Using Lithium Organic Salts and Trimethylaluminum

Advances in semiconductor device manufacturing are limited by our ability to precisely add and remove thin layers of material in multistep fabrication processes. Recent reports on atomic layer etching (ALE) have provided the means for the precise removal of inorganic thin films deposited by atomic layer deposition (ALD), opening new avenues for nanoscale device design. Here, we report on a new technique for the precise removal of metal organic thin films deposited by molecular layer deposition (MLD), which we term molecular layer etching. This etching process employs sequential exposures of lithium organic salt (LOS) and trimethylaluminum (TMA) precursors to produce self-limiting etching behavior. We employ quartz crystal microbalance experiments to demonstrate (i) etching of alucone films preloaded with LOS upon TMA exposures and (ii) layer-by-layer etching of alucone films using alternating exposures of LOS and TMA. We also identify the selectivity of these etching mechanisms. We probe the mechanism for the layer-by-layer etching of alucone using a quartz crystal microbalance and Fourier transform infrared spectroscopy and identify that the etching proceeds via heterolytic cleaving of Al-O bonds in alucone upon LOS exposure followed by methylation to produce volatile species upon TMA exposure. The etching process results in the removal of 0.4 nm/cycle of alucone at 160 °C and up to 3.6 nm/cycle of alucone at 266 °C in ex situ etching experiments on silicon wafers. This halogen-free etching process enables etching of MLD films and provides new fabrication pathways for the control of material geometries at the nanoscale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Microparticle cloud imaging and tracking for data-driven plasma science

Oceans of image and particle track data encountered in plasma interactions with microparticle clouds motivate development and applications of machine-learning (ML) algorithms. A local-constant-velocity tracker, a Kohonen neural network or self-organizing map, the feature tracking kit, and U-Net are described and compared with each other for microparticle cloud datasets generated from exploding wires, dusty plasmas, and atmospheric plasmas. Particle density and the signal-to-noise ratio have been identified as two important factors that affect the tracking accuracy. Fast Fourier transform is used to reveal how U-Net, a deep convolutional neural network developed for non-plasma applications, achieves the improvements for noisy scenes. Viscous effects are revealed in the ballistic motions of the particles from the exploding wires and atmospheric plasmas. Subdiffusion of microparticles satisfying Δr 2 ∝t k (k=0.84±0.02) is obtained from the dusty plasma datasets. Microparticle cloud imaging and tracking, when enhanced with data and ML models, present new possibilities for plasma physics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Assessment of the Dominican Republic’s Commercial and Industrial Scale Energy Efficiency Sector

In this paper the National Renewable Energy Laboratory (NREL) explores the commercial and industrial (C&I) energy efficiency market in the Dominican Republic, including the market’s current status. During NREL’s engagement with its Dominican counterparts, NREL noted market gaps, identified by both public and private sector market actors, that became the focus of this report. The intent is two-fold. First, to assist potential customers, project financing institutions, and various government agencies understand where the energy efficiency sector stands, in August 2020. Second to help them recognize the scope, scale, and opportunity for energy savings from untapped potential large reductions in energy expenditures. This research identified how savings could be captured through improvements to the enabling environment, technical capacity, and level of activity in the sector. Moreover, it determined that through taking action to catalyze energy efficiency investment, the government could make significant progress towards its self-declared NDC goals, and result in tens of millions of dollars in savings across the Dominican economy for both the private and public sectors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2023

Advanced Photon Acceleration Schemes for Tunable XUV/Soft X-Ray Sources

We report on the advances made under the purview of DOE award number DE-SC0019135 that was active during the period: 09/01/2018–08/31/2021. The grant investigated the application of a “flying focus” to the problem of photon acceleration—in which a dynamic refractive index gradient is used to continuously upshift a probe beam’s frequency. Codes were written to describe the creation of ionization waves of arbitrary velocity (IWAVs) for use as a photon-accelerating medium, as well as the behavior of a witness pulse residing in said medium. Experiments first verified the spatiotemporal control over laser intensity provided by a chromatic flying focus, then used that ability to produce small-diameter IWAVs in the far-field with the expected dynamics, and finally demonstrated even further flexibility by producing large-diameter IWAVs in the laser quasi-far-field that maintained the beneficial dynamics. Multiple innovative diagnostics—spectrally resolved Schlieren and spectrally resolved interferometry—were pioneered in order to diagnose the IWAVs. For IWAV production in the laboratory, however, beam quality was identified as a key limitation in the quasi-far-field. Since the original chromatic flying focus was found to result in relatively long (ps duration) intensity peaks, which could limit some applications including photon acceleration, additional techniques were invented to provide similar spatiotemporal control while also retaining ultrashort intensity peaks. While simulations have identified several interesting regimes for photon acceleration—first predicting the upshift of a counterpropagating witness pulse from the optical to the extreme ultraviolet in less than 1 cm, and later obtaining similar shifts in less than 100 μm in a simpler self-seeded configuration—experimental demonstration is left for future work.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1974

Gas flow analysis during thermal vacuum test of a spacecraft

The self-contamination of the IMP-H spacecraft, while it was undergoing thermal and solar vacuum tests, has been investigated in conjunction with the outgassing evaluation and detection of molecular flow anomalies occurring in the test chamber. The pressures indicated by two tubulated ionization gauges were used to calculate flow kinetics in the vacuum chamber. The fluxes of emitted molecules and chamber wall reflected molecules were monitored during the entire test. Representative equations and graphs are presented. Test results indicate that from 3 to 9 of every 100 emitted molecules returned to the spacecraft surface; that self-contamination by noncondensable gases was more severe than that by condensable gases; and that outgassing of the spacecraft was approximately 1.18 x 0.01 g/s after 10 hours and 1.18 x 0.001 after 90 hours of vacuum exposure. Testing deficiencies have been identified, and the type and location of instruments required to measure the outgassing, the degree of contamination, and return flow are discussed.

Scialdone, J. J.↗

NASA NTRS2009

Aerobot Autonomy Architecture

An architecture for autonomous operation of an aerobot (i.e., a robotic blimp) to be used in scientific exploration of planets and moons in the Solar system with an atmosphere (such as Titan and Venus) is undergoing development. This architecture is also applicable to autonomous airships that could be flown in the terrestrial atmosphere for scientific exploration, military reconnaissance and surveillance, and as radio-communication relay stations in disaster areas. The architecture was conceived to satisfy requirements to perform the following functions: a) Vehicle safing, that is, ensuring the integrity of the aerobot during its entire mission, including during extended communication blackouts. b) Accurate and robust autonomous flight control during operation in diverse modes, including launch, deployment of scientific instruments, long traverses, hovering or station-keeping, and maneuvers for touch-and-go surface sampling. c) Mapping and self-localization in the absence of a global positioning system. d) Advanced recognition of hazards and targets in conjunction with tracking of, and visual servoing toward, targets, all to enable the aerobot to detect and avoid atmospheric and topographic hazards and to identify, home in on, and hover over predefined terrain features or other targets of scientific interest. The architecture is an integrated combination of systems for accurate and robust vehicle and flight trajectory control; estimation of the state of the aerobot; perception-based detection and avoidance of hazards; monitoring of the integrity and functionality ("health") of the aerobot; reflexive safing actions; multi-modal localization and mapping; autonomous planning and execution of scientific observations; and long-range planning and monitoring of the mission of the aerobot. The prototype JPL aerobot (see figure) has been tested extensively in various areas in the California Mojave desert.

Elfes, Alberto↗

NASA NTRSDate not supplied

Clinical Decision Support - Concepts of Operation

We are entering a new era in space exploration to return to the moon and explore Mars. Crew members operating independently during long duration space exploration missions will require a clinical decision support system (CDSS) to increase autonomy by augmenting their knowledge, skills and abilities in different scenarios. Significant changes to in-flight and habitat medical care due to constraints on mass, volume, power, crew time and medical evacuation capabilities are needed to increase crew autonomy and self-reliance in decision making and task performance. The Exploration Medical Capability (ExMC) Element of the Human Research Program (HRP) pushes the boundary of space medical systems to advance the care of astronauts on future exploration missions beyond low Earth orbit by identifying and testing next-generation medical care and crew health maintenance technologies. Clinical decision support (CDS) presents knowledge and data in a context aware manner to augment a crew members’ knowledge, skills and abilities during the process of observation, orientation, decisions and action. A comprehensive crew health and performance CDSS is required to augment crew capability and will be used in different scenarios for several reasons. In general, the CDSS’s role is to assist the crew in prevention, detection, diagnosis and treatment of crew health and performance related conditions that may arise in exploration spaceflight. For example, CDSS would assist a high acuity scenario such as a heart attack by supplying clear instructions, vital signs and treatment reminders. A lower severity scenario such as kidney stone risk could interface to vehicle systems and display more complex predictive data during a diagnosis. A CDSS needs to contribute to successful missions by maintaining a high performing crew who can potentially exhibit countless medical conditions related to derangements from the space environment (sleep, cognition, nutrition and exercise) as well as conditions intrinsic to humans anywhere. While supporting the crew’s ability to make sound clinical decisions is desirable in any mission, it is essential for exploration missions with significant communication delays, no evacuation capability, and extended exposure to the flight environment. Such missions correspond with medical Level of Care V (LOC V), the highest level specified in NASA-STD-3001. The project focuses on CDS implementation research to derive requirements for LOC V, where the need for increased autonomy results in new practices and the inclusion of non-clinical data, such as vehicle environmental measures and physical exercise results, from other human and vehicle domains and advanced analytics. The CDS project describes how the CDSS is intended to be used by defining concepts of operations (ConOps). The process to derive ConOps focuses on increased autonomy that reduces the likelihood and consequences of accepted medical conditions. These crew health and performance inputs are grouped by common datasets and analysis models. Use cases are derived to research new clinical scenarios, architectural development and workflows. Implementation research is conducted with protypes to inform assumptions and derive requirements. The project also establishes how externally developed analysis and approaches can be added to expand a clinical decision support system and thus highlight how a comprehensive system can be globally developed with collaborators. This presentation will cover example scenarios from the CDS ConOps and the method to derive them. One example scenario will be CDSS alerting an increased kidney stone risk during a mission, with diagnosis and treatment options provided during the intervention.

clinical decision support↗

NASA NTRSDate not supplied

Clinical Decision Support - Concepts of Operation

We are entering a new era in space exploration to return to the moon and explore Mars. Crew members operating independently during long duration space exploration missions will require a clinical decision support system (CDSS) to increase autonomy by augmenting their knowledge, skills and abilities in different scenarios. Significant changes to in-flight and habitat medical care due to constraints on mass, volume, power, crew time and medical evacuation capabilities are needed to increase crew autonomy and self-reliance in decision making and task performance. The Exploration Medical Capability (ExMC) Element of the Human Research Program (HRP) pushes the boundary of space medical systems to advance the care of astronauts on future exploration missions beyond low Earth orbit by identifying and testing next-generation medical care and crew health maintenance technologies. Clinical decision support (CDS) presents knowledge and data in a context aware manner to augment a crew members’ knowledge, skills and abilities during the process of observation, orientation, decisions and action. A comprehensive crew health and performance CDSS is required to augment crew capability and will be used in different scenarios for several reasons. In general, the CDSS’s role is to assist the crew in prevention, detection, diagnosis and treatment of crew health and performance related conditions that may arise in exploration spaceflight. For example, CDSS would assist a high acuity scenario such as a heart attack by supplying clear instructions, vital signs and treatment reminders. A lower severity scenario such as kidney stone risk could interface to vehicle systems and display more complex predictive data during a diagnosis. A CDSS needs to contribute to successful missions by maintaining a high performing crew who can potentially exhibit countless medical conditions related to derangements from the space environment (sleep, cognition, nutrition and exercise) as well as conditions intrinsic to humans anywhere. While supporting the crew’s ability to make sound clinical decisions is desirable in any mission, it is essential for exploration missions with significant communication delays, no evacuation capability, and extended exposure to the flight environment. Such missions correspond with medical Level of Care V (LOC V), the highest level specified in NASA-STD-3001. The project focuses on CDS implementation research to derive requirements for LOC V, where the need for increased autonomy results in new practices and the inclusion of non-clinical data, such as vehicle environmental measures and physical exercise results, from other human and vehicle domains and advanced analytics. The CDS project describes how the CDSS is intended to be used by defining concepts of operations (ConOps). The process to derive ConOps focuses on increased autonomy that reduces the likelihood and consequences of accepted medical conditions. These crew health and performance inputs are grouped by common datasets and analysis models. Use cases are derived to research new clinical scenarios, architectural development and workflows. Implementation research is conducted with protypes to inform assumptions and derive requirements. The project also establishes how externally developed analysis and approaches can be added to expand a clinical decision support system and thus highlight how a comprehensive system can be globally developed with collaborators. This presentation will cover example scenarios from the CDS ConOps and the method to derive them. One example scenario will be CDSS alerting an increased kidney stone risk during a mission, with diagnosis and treatment options provided during the intervention.

clinical decision support↗

DOE OSTI2021

DESIGN & DEVELOPMENT OF A SECURE SELF-LEVELING WIRELESS RECHARGING PLATFORM FOR AN AERIAL DRONE ON AN UNMANNED SURFACE VESSEL

The Design and Development of an automated recharging station for an aerial drone, onboard a small, unmanned surface vessel, is described. Drones require a landing surface that is level within five degrees of the surrounding terrain for repeated reliable landing and takeoff. System constraints and at-sea application necessitate a compact, lightweight, and secure solution. A passive self-leveling platform and an accompanying automated parallel-pusher drone restraint mechanism have been designed and fabricated to aid in achieving a level landing surface and holding the drone in place while it charges. The self-leveling mechanism has been analyzed and subjected to initial laboratory tests. The testing of the drone restraint mechanism to verify its weight capacity and closing time, and the integration of the platform with a custom conductive contact wireless charging pad are identified as future work. The resulting cohesive unit will be tested for performance optimization and implementation onboard the unmanned surface vehicle.

McKinney, Adriana↗

DOE OSTI2025

Machine Learning for Anomaly Detection in Neural Network Security and SRF Cavities

This dissertation explores the development and deployment of machine learning approaches to address critical challenges in anomaly detection across two distinct domains: neural network security in federated learning settings and cavity behavior analysis in particle accelerator operations at Jefferson Lab in Newport News, Virginia. Anomaly detection identifies deviations from expected patterns, safeguarding systems in cybersecurity, industry, and research against malicious activities and failures. This dissertation demonstrates how our machine learning approaches enhance detection accuracy and efficiency in both neural network security and industrial applications. First, we investigate vulnerabilities in deep neural networks deployed in federated learning. Although federated learning preserves user privacy by training models locally, it remains vulnerable to backdoor attacks, in which malicious participants embed hidden triggers that induce targeted misbehavior. We propose a self-supervised contrastive learning framework to detect and mitigate such backdoor attacks. In our experiments, this method achieves higher detection accuracy and lower false positive rates than existing defenses, while operating without access to local model updates or original training data and thus preserving the privacy guarantees of the federated setting. Second, we address the operational reliability of superconducting radio-frequency (SRF) cavities at the Continuous Electron Beam Accelerator Facility (CEBAF). Our research leverages an unsupervised learning approach, combined with Principal Component Analysis (PCA) and k-means clustering, to identify anomalous behaviors in SRF cavities. Our method detects subtle anomalous behavior by analyzing SRF signal data. This knowledge allows for the early detection and resolution of potential faults, significantly improving the efficiency and reliability of operations. Third, we extend these insights to time-series anomaly detection more broadly. We design a contrastive-learning based model tailored to increasingly dynamic environments and academic research. This model improves detection accuracy in settings that require real-time monitoring and predictive maintenance. Our research underscores the broader applicability and impact of advanced machine learning techniques in anomaly detection. By extracting meaningful patterns from complex data, machine learning can significantly enhance security in distributed neural networks and improve the efficiency of particle accelerator operations. This dissertation serves as a stepping stone for future investigations into the vast possibilities of anomaly detection, inspiring further exploration and development of machine learning techniques in this field.

Ferguson, Hal [Old Dominion University]↗

DOE OSTI2026

Genetic analyses of leaf traits in an interspecific Zoysia japonica × Zoysia matrella F2 population

Zoysiagrass (Zoysia spp.) is an important warm-season turfgrass cultivated across tropical, subtropical, and temperate regions of the world. The genus is characterized by the presence of salt-secreting glands on the adaxial leaf surface, which contribute to its high salt tolerance. In this study, we analyzed an interspecific F2 population, derived from selfing an F1 from a cross between Z. japonica acc. Meyer and Z. matrella acc. PI 231146, for variation in adaxial salt gland density, leaf width, and vein count. Using composite interval mapping with a previously constructed genetic map as a framework, we identified three quantitative trait loci (QTL) for leaf width, two QTL for vein count, and two QTL for salt gland density. We complemented the QTL analysis with bulked segregant RNA-seq (BSR-seq) to identify shared genomic regions and candidate genes for leaf width and salt gland density. BSR-seq identified four trait-associated regions, but only a single region identified for leaf width on Chr08 overlapped with a QTL for the same trait. We highlight putative candidate genes underlying the leaf width and salt gland density QTL and discuss their potential roles in leaf development. Together, the QTL and candidate genes provide an important resource for breeding stress-resilient Zoysia germplasm.

Pradhan, Shreena [University of Georgia, Athens]↗

DOE OSTI2025

Techno-economic assessment of residential PV system tariff policies in Jordan

This study assesses the economic and technical performance of four energy policy scenarios for Jordan's residential photovoltaic (PV) systems: net metering, net billing, zero-export with battery storage, and sell-all-buy-all. With the recent introduction of time-of-use (TOU) tariffs and policies addressing the “duck curve” effect, the research focuses on optimizing PV system sizing across different regulatory frameworks. A detailed techno-economic analysis evaluates these scenarios based on energy production, cost savings, payback periods, and energy self-sufficiency. The findings indicate that net metering and net billing offer the highest cost savings and the shortest payback periods (∼3 years). While the zero-export strategy with battery storage enhances energy self-sufficiency by up to 70%, it requires a higher upfront investment. The sell-all-buy-all scenario supports larger system sizes, achieving a low levelized cost of electricity (0.0696 USD/kWh) and a net present value of 619 USD. Additionally, the study identifies a critical feed-in tariff threshold of 0.055 USD/kWh, at which net billing becomes as financially attractive as net metering. Here, these insights offer valuable recommendations for policymakers to optimize net billing rates and TOU tariffs, promoting the expansion of Jordan's renewable energy sector.

Battery storage↗

DOE OSTI2023

Combining machine-learned and empirical force fields with the parareal algorithm: application to the diffusion of atomistic defects

We numerically investigate an adaptive version of the parareal algorithm in the context of molecular dynamics. This adaptive variant has been originally introduced in [1]. We focus here on test cases of physical interest where the dynamics of the system is modelled by the Langevin equation and is simulated using the molecular dynamics software LAMMPS. In this work, the parareal algorithm uses a family of machine-learning spectral neighbor analysis potentials (SNAP) as fine, reference, potentials and embedded-atom method potentials (EAM) as coarse potentials. We consider a self-interstitial atom in a tungsten lattice and compute the average residence time of the system in metastable states. Our numerical results demonstrate significant computational gains using the adaptive parareal algorithm in comparison to a sequential integration of the Langevin dynamics. We also identify a large regime of numerical parameters for which statistical accuracy is reached without being a consequence of trajectorial accuracy.

36 MATERIALS SCIENCE↗