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At least 343 records · Page 19

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DOE OSTI2026

The solubility of ErPO 4 and Er speciation in hydrothermal fluids at varying pH and salinity between 350 and 450 °C

The rare earth elements (REE) are important for the green-energy transition and can be incorporated into the REE phosphates, such as xenotime-(Y), which also hosts heavy REE (Tb– Lu). Xenotime-(Y) is a common accessory mineral in metamorphic rocks and a range of mineral deposits where it controls the mobility of heavy REE, however, the impact of high temperature aqueous fluids on the behavior of heavy REE is largely unknown. Thermodynamic modeling can be utilized as a tool to predict the mobility of REE in hydrothermal aqueous fluids, but must be supported by accurate experimental data. Here, we measured the solubility of endmember synthetic xenotime-structured ErPO4 in NaCl-HCl-NaOH-bearing aqueous solutions at 350 °C and water vapor saturation pressure, at 400 and at 450 °C and 500 bar using batch-type Inconel reactors. Erbium speciation was investigated as a function of pH from 2.8 to 8, where Er chloride species are predominant at acidic conditions (pH <3) and Er hydroxyl complexes are predominant at near- neutral to alkaline conditions (pH >3). At pH 7–9, the measured ErPO 4 solubility (-9.8 to -7.5 log m Er ) is up to 2.5 orders of magnitude lower than thermodynamic predictions (-9.4 to -6.7 log m Er ) using existing thermodynamic databases. At pH 2–3, the predicted ErPO 4 solubility is ~0.5 orders of magnitude higher at 350 °C and ~1 order of magnitude lower at 450 °C compared to experimentally measured Er concentrations. The thermodynamic properties of aqueous Er species were therefore revised in this study. The partial molal Gibbs energy of formation (Δ f G 0 T,P ) for aqueous Er hydroxyl and chloride species are optimized using GEMSFITS and the logarithmic formation constants (logβ n ( Cl,OH) ) were derived at each experimental temperature and pressure. The updated thermodynamic properties for Er hydroxyl species (Er(OH) +2 , Er(OH) 2 + , and Er(OH) 3 0 ) show that their stability shifts to more acidic conditions at and below 400 °C. The Er chloride species (ErCl +2 and ErCl 2 + ) show increased stability compared to Er hydroxyl species at temperatures of 450 °C and 0.01 mol/kg NaCl. The updated thermodynamic properties are implemented into the GEM-Selektor modeling package to investigate the mobility of Er in saline hydrothermal fluids in equilibrium with alkaline rocks. Importantly, the updated properties for Er hydroxyl species result in low Er solubility at rock equilibrated pH conditions due to an expanded hydroxyl predominance zone, but lower aqueous complex stability overall, whereas previous models suggest greater stability for aqueous Er species. Furthermore, ErPO 4 solubility increases with decreasing temperature due to the deprotonation of HCl, which increases the acidity of hydrothermal fluids and the availability of Cl - to complex with the REE. These simulations highlight how fluid-rock reaction and temperature affect the mobility of REE in hydrothermal ore-forming systems.

58 GEOSCIENCES↗

DOE OSTI2025

Spatial Impacts of Electric Vehicle Charging on Power Grid Stability: A Downtown Atlanta Case Study

The rapid increase in electric vehicle (EV) charging demand poses a potential risk to power grid stability, particularly as the spatial distribution of this demand remains underexplored. Existing research often focuses on technical optimization models while overlooking the geographic and human dynamics that affect energy consumption. This study addresses this gap by incorporating mobility data to estimate both building energy use and EV charging demand while also considering geographic factors for a better understanding of grid load. Using agent-based simulations and the Open-Source Distribution System Simulator, the study evaluates the effect of various EV penetration scenarios on grid voltage and unbalance. The results show that, although voltage remains within acceptable limits at lower EV penetration rates, significant voltage drop and unbalance occur as EV penetration exceeds 40%, particularly in residential areas with high charging demand. This study offers a framework for integrating spatial analysis and mobility data in power network simulations, providing insights for future EV infrastructure planning.

Pan, Melrose [ORNL] (ORCID:000000031627448X)↗

NASA NTRSDate not supplied

Rapid Aero Modeling for Urban Air Mobility Aircraft in Computational Experiments

Rapid Aero Modeling (RAM) applied to computational testing, RAM-C, is an approach to efficiently and automatically obtain aerodynamic models during computational investigations. RAM-C is designed to estimate models appropriate for flight dynamics studies and simulations. The approach responds to a demand for experimental efficiency and model fidelity that has increased with growing aircraft complexity and aerodynamic nonlinearities associated with hybrid and electric vertical takeoff and landing (eVTOL) aircraft. In an Urban Air Mobility (UAM) transportation system, it is expected that aircraft will embrace many features from both airplanes and rotorcraft. These vehicles present many more factors than conventional aircraft which can lead to increased computational costs and missed key factor interactions when applying traditional testing and modeling methods. RAM-C provides feedback loops around computational codes to rapidly guide testing toward aerodynamic models meeting user-defined fidelity goals. It combines and extends concepts from design of experiment theory and aircraft system identification theory that allow the user the freedom to choose, in advance of the test, a specific level of fidelity in terms of prediction error. RAM-C only collects enough data required to meet the user-specified prediction error requirements thus saving computational time and resources. The overall achievable fidelity of the final model also depends on the accuracy of the test facility, or in this case, the computational modeling approach. Previous studies to support development of the RAM-T process were conducted in wind tunnel tests to assess potential metrics, algorithms, and procedures. This paper presents results from the next steps taken and tests conducted for the development of RAM-C technology and highlights some of the unique features of RAM applied eVTOL configurations in a computational study.

Aerodynamics↗

NASA NTRS2015

Physics Simulation Software for Autonomous Propellant Loading and Gas House Autonomous System Monitoring

1. Kennedy Space Center (KSC) is developing a mobile launching system with autonomous propellant loading capabilities for liquid-fueled rockets. An autonomous system will be responsible for monitoring and controlling the storage, loading and transferring of cryogenic propellants. The Physics Simulation Software will reproduce the sensor data seen during the delivery of cryogenic fluids including valve positions, pressures, temperatures and flow rates. The simulator will provide insight into the functionality of the propellant systems and demonstrate the effects of potential faults. This will provide verification of the communications protocols and the autonomous system control. 2. The High Pressure Gas Facility (HPGF) stores and distributes hydrogen, nitrogen, helium and high pressure air. The hydrogen and nitrogen are stored in cryogenic liquid state. The cryogenic fluids pose several hazards to operators and the storage and transfer equipment. Constant monitoring of pressures, temperatures and flow rates are required in order to maintain the safety of personnel and equipment during the handling and storage of these commodities. The Gas House Autonomous System Monitoring software will be responsible for constantly observing and recording sensor data, identifying and predicting faults and relaying hazard and operational information to the operators.

Regalado Reyes, Bjorn Constant↗

DOE OSTI2025

The CO2 mineralization potential of New Mexico basalts and associated critical element behavior and mobility.

This presentation reports on laboratory experiments assessing the carbon dioxide (CO₂) mineralization potential of New Mexico basalts, including trachybasalt and basalt lithologies. Using simulated groundwater and controlled conditions, the study evaluates the kinetics of CO₂ sequestration, mineral saturation indices, and secondary mineral formation. It also investigates the mobility of critical and trace elements such as Ni, Zn, Cu, and Li during basalt dissolution. Results indicate that New Mexico basalts can effectively sequester CO₂ through carbonate formation, with grain size and mineral composition influencing reaction rates and elemental behavior. These findings support the viability of geologic carbon storage in mafic volcanic terrains and inform strategies for critical element recovery.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Tandem bulk oxygen diffusion and surface reactions in reducible metal oxides control redox cycle dynamics

The interplay between bulk oxygen diffusion and surface reactions in reducible metal oxides is key in heterogeneous catalysts, but direct measurements of oxygen mobility, transient kinetics, and in situ spectroscopies have been lacking. Here, we reveal complex dynamic behavior of ceria-zirconia by H 2 using transient kinetics via mass spectrometry and in situ Raman and near-ambient pressure x-ray photoelectron spectroscopies. Molecular dynamics simulations with a machine learning potential delineate competitive oxygen diffusion mechanisms, with an optimal mobility at intermediate reductions. We expose a compensation between vacancy availability and lattice distortion at intermediate to high reductions and Frenkel defects at low reductions, underscoring a potential deficiency of 16 O/ 18 O exchange experiments in deducing oxygen mobility. Vacancies in proximity require electron localization on Ce atoms further away. The continuous replenishment of surface oxygen results in a varying reduction rate, with H 2 dissociation being the rate-limiting step. Multiscale transient simulations, consistent with experiments, indicate catalysts of potentially spatially varying oxidation states. The approach is broadly applicable to reducible oxide materials.

36 MATERIALS SCIENCE↗

NASA NTRS1990

Study Of Adaptive-Array Signal Processing

Report describes study of adaptive signal-processing techniques for suppression of mutual satellite interference in mobile (on ground)/satellite communication system. Presents analyses and numerical simulations of performances of two approaches to signal processing for suppression of interference. One approach, known as "adaptive side lobe canceling", second called "adaptive temporal processing".

Satorius, Edgar H.↗

NASA NTRS1992

Estimation of the absolute position of mobile systems by an optoelectronic processor

A method that determine the absolute position of a mobile system with a hybrid optoelectronic processor has been developed. Position estimates are based on an analysis of circular landmarks that are detected by a TV camera attached to the mobile system. The difference between the known shape of the landmark and its image provides the information needed to determine the absolute position of the mobile system. For robust operation, the parameters of the landmark image are extracted at high speeds using an optical processor that performs an optical Hough transform. The coordinates of the mobile system are computed from these parameters in a digital co-processor using fast algorithms. Different sources of position estimation errors have also been analyzed, and consequent algorithms to improve the navigation performance of the mobile system have been developed and evaluated by both computer simulation and experiments.

Feng, Liqiang↗

NASA NTRS2000

Mars Umbilical Technology Demonstrator

The objective of this project is to develop a autonomous umbilical mating for the mars umbilical technology demonstrator. The Mars Umbilical Technology Demonstrator (MUTD) shall provide electrical power and fiber optic data cable connections between two simulated mars vehicles. The Omnibot is used to provide the mobile base for the system. The mate to umbilical plate is mounted on a three axis Cartesian table, which is installed on the Omnibot mobile base. The Omnibot is controlled in a teleoperated mode. The operator using the vision system will guide the Omnibot to get close to the mate to plate. The information received from four ultrasonic sensors is used to identify the position of mate to plate and mate the umbilical plates autonomously. A successful experimentation verifies the approach.

Houshangi, Nasser↗

NASA NTRS2007

Detailed Studies of Pixelated CZT Detectors Grown with the Modified Horizontal Bridgman Method

The detector material Cadmium Zinc Telluride (CZT) achieves excellent spatial resolution and good energy resolution over a broad energy range, several keV up to some MeV. Presently, there are two main methods to grow CZT crystals, the Modified High-Pressure Bridgman (MHB) and the High-Pressure Bridgman (HPB) process. The study presented in this paper is based on MHB CZT substrates from the company Orbotech Medical Solutions Ltd. [Orbotech Medical Solutions Ltd., 10 Plaut St., Park Rabin, P.O. Box 2489, Rehovot, Israel, 76124]. Former studies have shown that high-work-function materials on the cathode side reduce the leakage current and, therefore, improve the energy resolution at lower energies. None of the studies have emphasized on the anode contact material. Therefore, we present in this paper the result of a detailed study in which for the first time the cathode material was kept constant and the anode material was varied. We used four different anode materials: Indium, Titanium, Chromium and Gold, metals with work-functions between 4.1 eV and 5.1 eV. The detector size was 2.0 x 2.0 x 0.5 cu cm with 8 x 8 pixels and a pitch of 2.46 mm. The best performance was achieved with the low-work-function materials Indium and Titanium with energy resolutions of 2.0 keV (at 59 keV) and 1.9 keV (at 122 keV) for Titanium and 2.1 keV (at 59 keV) and 2.9 keV (at 122 keV) for Indium. Taking into account the large pixel pitch of 2.46 mm, these resolutions are very competitive in comparison to those achieved with detectors made of material produced with the more expensive conventional HPB method. We present a detailed comparison of our detector response with 3D simulations. The latter comparisons allow us to determine the mobility-lifetime-products (mu tau-products) for electrons and holes. Finally, we evaluated the temperature dependency of the detector performance and ls-products. For many applications temperature dependence is important, therefore, we extended the scope of our study to temperatures as low as -30 C. There are two important results. The breakdown voltage increases with decreasing temperature, and electron mobility-lifetime-product decreases by about 30% over a range from 20 C to -30 C. The latter effect causes the energy resolution to deteriorate, but the concomitantly increasing breakdown voltage makes it possible to increase the applied bias voltage and restore the full performance

Jung, I.↗

NASA NTRSDate not supplied

Optimal Sensor Mobility Design for Target Tracking with Distributed Sensing, Communication and Computing Infrastructure

The paper presents an airborne target tracking approach with data fusion from distributed stationary and mobile sensor network transmitted through a wireless/wired communication network and using a distributed computing infrastructure. To obtain high quality measurements, sensor flight platforms' positions and orientations are optimized with respect to the available target's position and velocity estimates, and a formation control strategy is applied to derive desired trajectories for the flight platforms. As sensors move, the communication network topology switching is determined using the worst-case approach to handle uncertainties in the target's and sensors' positions, which alters communication delays for sensors' data transmission to computing centers. An optimal data migration algorithm is periodically applied to determine these communication delays for each sensor and the optimal location with minimum end-to-end latency for the target tracking algorithm execution, which is based on adaptive information fusion from multi-modal mobile and stationary sensors inside an Extended Kalman Filter framework. The approach is validated in a desktop simulation environment using synthetic sensor data generated for a simulated target's flight.

Distributed sensing↗

NASA NTRS2007

Surface Operations: Two Case Studies of Simulated Lunar Operations

In September 2007, a team of scientists and engineers from several NASA centers participated in a field exercise at Meteor Crater, Arizona. The tests in this field exercise utilized recently developed robots of varying scales and capabilities and humans in pressurized space suits. Two examples of operations performed in the field are presented: a surface operations scenario involving suited crew supported by a number of mobile robots and setup operations for accessing a crater. The surface operations scenario simulated the end of a crew sortie and involved the following agents: 1) Suit subjects from Johnson Space Center s (JSC) advanced spacesuit laboratory 2) JSC's unpressurized crewed rover testbed, SCOUT 3) The Jet Propulsion Laboratory s (JPL) rough terrain, payload carrying robot, ATHLETE 4) JSC's Astronaut assist robot, Robonaut 5) Ames Research Center's (ARC) inspection robot, K-10. Operations began with ATHLETE positioning a pressurized rover compartment (PRC) as two crew members drove the SCOUT unpressurized rover from the field. The crew dismounted SCOUT, walked to the PRC for recharging. Robonaut then removed a sample box from the SCOUT equipment tray. K-10 then performed a drive around inspection of SCOUT, assembling a mosaic image. Lastly, the SCOUT vehicle was remotely driven to the next site. The setup operations for crater access scenario involved ATHLETE and Robonaut. This scenario began with Robonaut approaching ATHLETE and extracting a tether line. ATHLETE then extracted a drill and drilled an anchor into the surface. Robonaut then reconnected the tether to the anchor and backed away. ATHLETE is then ready to descend into the crater. This descending into the crater step is currently in the planning phase.

Bluethmann, William J.↗

DOE OSTI2025

Role of effective mass and long-range interactions in the band-gap renormalization of photoexcited semiconductors

Understanding how to control changes in the electronic structure and related dynamical renormalizations by external driving fields is the key for understanding ultrafast spectroscopy and applications in electronics. Here, we focus on the band gap's modulation by external electric fields and uncover the effect of band dispersion on the gap renormalization. We employ the Green's function formalism using the real-time Dyson expansion to account for dynamical correlations induced by photodoping. The many-body formalism captures the dynamics of systems with long-range interactions, carrier mobility, and variable electron and hole effective mass. We also demonstrate that mean-field simulations based on the Hartree-Fock Hamiltonian, which lacks dynamical correlations, yields a qualitatively incorrect picture of band-gap renormalization. We find the trend that increasing effective mass, thus decreasing mobility, leads to as much as a 6% enhancement in band-gap renormalization. Further, the renormalization is strongly dependent on the degree of photodoping. As the screening induced by free electrons and holes effectively reduces any long-range and interband interactions for highly excited systems, we show that there is a specific turnover point with a minimal band gap. Here, we further demonstrate that the optical gap renormalization follows the same trend though its magnitude is altered by the Moss-Burstein effect.

Approximation methods for many-body systems↗

NASA NTRS2024

Measurements of Silicosis Factors in Lunar and Martian Simulants

Simulants are geologically complex materials that are developed to represent the physical and/or compositional characteristics of a planetary surface (e.g., a naturally occurring soil or regolith). There are dozens of commercially available simulants that have been developed over the years; each simulant exhibits unique physical, chemical, and mineralogical characteristics. Simulants are derived from either natural or synthetic sources (i.e., “feedstocks”) of glass, minerals, and rocks. These feedstock components are processed by crushing, pulverizing, melting, etc., and then combined in the appropriate proportions to represent a particular site, surface, or region (e.g., Lunar Highlands Regolith). The process of creating simulants therefore requires the mechanical breakdown and reincorporation of feedstock components which may contain crystalline silica minerals such as quartz, cristobalite, and tridymite. Certain crystalline silica particles of the respirable fraction (<10 μm in diameter) are of great concern; chronic and acute exposure to these respirable crystalline silica (RCS) can lead to permanent damage and scarring of lung tissue, incurable lung diseases (i.e., silicosis), lung cancer, COPD (chronic obstructive pulmonary disease), and kidney disease. Planetary simulants are used extensively as test materials in the in scientific and engineering communities (e.g., testing of dust mitigation technologies, in-situ resource utilization, rover mobility, hardware, soft goods etc.). As such, this assessment was developed to serve as a guide for simulant users, local Safety and Occupational Health professionals, and Industrial Hygienists to evaluate the risk of silicosis across a wide variety of Lunar and Martian simulants. The goal of these works is to ensure that those working with simulant can do so safely and with an informed understanding of potential health risks.

Lunar↗

NASA NTRSDate not supplied

Measurements of Silicosis Factors in Lunar and Martian Simulants

Lunar↗

NASA NTRSDate not supplied

Designing a Distributed Web-based Simulation Environment for Enabling Autonomous Systems Research

In the continued pursuit of creating a future with robust Urban Air Mobility (UAM) operations defined as safe and efficient air traffic operations in metropolitan environments for both piloted and autonomous systems, development of the concepts, technologies, and procedures to establish this UAM ecosystem remains an active area of research. In particular, as autonomous systems continue to grow in both complexity and use throughout UAM concepts the need for simulation environments to both test individual components and systems and to study the complex interactions between them is paramount. In this paper we address design considerations, technologies, and challenges of adapting native simulation environment application concepts to an interactive and distributed web-based framework. The proposed web-based design allows for easier and wider access for developing, testing, integrating, and studying emergent behaviors of complex autonomous systems interaction. We demonstrate the utility of the proposed approach by showing multi-agent interaction and emergent behavior in two scenarios: (1) autonomous urban air mobility vehicles flying in a convoy and (2) interaction of a convoy with a search and rescue operation.

Benjamin N Kelley↗

NASA NTRS2002

Impact-Mobilized Dust in the Martian Atmosphere

We consider dust production and entrainment into the atmosphere of Mars by impacts. Numerical simulations based on the multidimensional multimaterial hydrocode were conducted for impactors 1 to 100 m in size and velocities 11 and 20 kilometers per second. The size distribution of particles was based on experimentrr wing TNT explosions. Dust can be mobilized even when the impactor does not reach the ground through the release of energy in the atmosphere, We found that the blast produced winds entrained dust by a mechanism similar to boundary layer winds as determined from the wind-tunnel tests. For a l-m radius stony asteroid releasing its energy in the atmosphere the lifted mass of dust is larger than that in a typical dust devil and could trigger local dust storms, For a 100-m-radius meteoroid the amount of injected dust is comparable with the tota! mass of a global dust storm.

Nemtchinov, I. V.↗

NASA NTRS1991

Energy Models for One-Carrier Transport in Semiconductor Devices

Moment models of carrier transport, derived from the Boltzmann equation, made possible the simulation of certain key effects through such realistic assumptions as energy dependent mobility functions. This type of global dependence permits the observation of velocity overshoot in the vicinity of device junctions, not discerned via classical drift-diffusion models, which are primarily local in nature. It was found that a critical role is played in the hydrodynamic model by the heat conduction term. When ignored, the overshoot is inappropriately damped. When the standard choice of the Wiedemann-Franz law is made for the conductivity, spurious overshoot is observed. Agreement with Monte-Carlo simulation in this regime required empirical modification of this law, or nonstandard choices. Simulations of the hydrodynamic model in one and two dimensions, as well as simulations of a newly developed energy model, the RT model, are presented. The RT model, intermediate between the hydrodynamic and drift-diffusion model, was developed to eliminate the parabolic energy band and Maxwellian distribution assumptions, and to reduce the spurious overshoot with physically consistent assumptions. The algorithms employed for both models are the essentially non-oscillatory shock capturing algorithms. Some mathematical results are presented and contrasted with the highly developed state of the drift-diffusion model.

Jerome, Joseph W.↗