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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 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Microbial potentiometric sensor: A new approach to longstanding challenges

The underlying hypothesis of this study is that simple potentiometric measurements between sensing electrodes and a shared reference electrode - Microbial Potentiometric Sesnor (MPS) system - can be employed in a long-term, continuous mode of operation to resolve the spatial and temporal changes in environmental systems. To address the hypothesis, (1) a conceptual description of the MPS system and its postulated principle of operation are provided; (2) the MPS system performance is documented under controlled laboratory conditions; and (3) the capabilities of the MPS system are documented under quiescent and dynamic field condition. In a laboratory setting, the variability among different MPS signals was insignificant confirming the postulated high accuracy and reproducibility of the sensor performance. It also demonstrated statistically significant correlations with dissolved oxygen (DO) and oxidation-reduction potential (ORP) sensors, while showing capabilities of operating under anoxic and anaerobic conditions. Regardless of their locations in the model wetland system, three MPS sensors functioned without interruption and cleaning for a period >2 years, and thus demonstrating long-term durability of the MPS technology. In real batch-wastewater treatment facility, the deployed MPS system signals were able to describe the organic carbon trends and correlate with each treatment phase in a cycle. Data reproducibility and reliability exceeded the expectations better describing the carbon treatment levels than the DO and ORP sensors (p < 4.4 × 10 –162 vs phase adjusted p < 3.0 × 10 –58 ). While MPS signals correlate with specific parameters that describe the local process or environments, it is more prudent to employ both the magnitude and pattern of a composite signal like the MPS signal describe the change to reflect any shift in the local environment. Finally, when compared to a baseline pattern, this change in signal magnitude and pattern reveals important information that can be employed to tailor and optimize any condition or process which involves microorganisms.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Thermal Stability of Quasi-1D NbS 3 Nanoribbons and Their Transformation to 2D NbS 2 : Insights from in Situ Electron Microscopy and Spectroscopy

Here in situ electron microscopy imaging and spectroscopy enabled us to study the evolution of quasi-1D NbS 3 -IV nanoribbons with respect to morphology and chemical structure at temperatures between room temperature and 1000 °C. Scanning transmission electron microscopy (STEM) experiments included imaging in the secondary electron, (transmitted) bright field, and high-angle annular dark-field modes while operating in the low kV regime. The results showed that NbS 3 -IV samples transform dramatically from smooth nanoribbons into highly textured configurations featuring polyhedral divots and steps. Similar in situ heating experiments conducted with aberration-corrected STEM revealed that bilayers of NbS 3 -IV chains convert topotactically into aligned 2H-NbS 2 sheets upon loss of sulfur. Atomic resolution imaging, fast Fourier transform analysis, and electron energy loss spectroscopy confirmed these chemical changes, from which we propose an atomistic mechanism for the NbS 3 -IV → 2H-NbS 2 conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

High-veracity functional imaging in scanning probe microscopy via Graph-Bootstrapping

The key objective of scanning probe microscopy (SPM) techniques is the optimal representation of the nanoscale surface structure and functionality inferred from the dynamics of the cantilever. This is particularly pertinent today, as the SPM community has seen a rapidly growing trend towards simultaneous capture of multiple imaging channels and complex modes of operation involving high-dimensional information-rich datasets, bringing forward the challenges of visualization and analysis, particularly for cases where the underlying dynamic model is poorly understood. To meet this challenge, we present a data-driven approach, Graph-Bootstrapping, based on low-dimensional manifold learning of the full SPM spectra and demonstrate its successes for high-veracity mechanical mapping on a mixed polymer thin film and resolving irregular hydration structure of calcite at atomic resolution. Using the proposed methodology, we can efficiently reveal and hierarchically represent salient material features with rich local details, further enabling denoising, classification, and high-resolution functional imaging.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Tunable x-ray free electron laser multi-pulses with nanosecond separation

X-ray Free Electron Lasers provide femtosecond x-ray pulses with narrow bandwidth and unprecedented peak brightness. Special modes of operation have been developed to deliver double pulses for x-ray pump, x-ray probe experiments. However, the longest delay between the two pulses achieved with existing single bucket methods is less than 1 picosecond, thus preventing the exploration of longer time-scale dynamics. We present a novel two-bucket scheme covering delays from 350 picoseconds to hundreds of nanoseconds in discrete steps of 350 picoseconds. Performance for each pulse can be similar to the one in a single pulse operation. The method has been experimentally tested with the Linac Coherent Light Source (LCLS-I) and the copper linac with LCLS-II hard x-ray undulators.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Three-dimensional piezoelectric polymer microsystems for vibrational energy harvesting, robotic interfaces and biomedical implants

Piezoelectric microsystems are of use in areas such as mechanical sensing, energy conversion and robotics. The systems typically have a planar structure, but transforming them into complex three-dimensional (3D) frameworks could enhance and extend their various modes of operation. Here, we report a controlled, nonlinear buckling process to convert lithographically defined two-dimensional patterns of electrodes and thin films of piezoelectric polymers into sophisticated 3D piezoelectric microsystems. To illustrate the engineering versatility of the approach, we create more than twenty different 3D geometries. With these structures, we then demonstrate applications in energy harvesting with tailored mechanical properties and root-mean-square voltages ranging from 2 mV to 790 mV, in multifunctional sensors for robotic prosthetic interfaces with improved responsivity (for example, anisotropic responses and sensitivity of 60 mV N -1 for normal force), and in bio-integrated devices with in vivo operational capabilities. We note the 3D geometries, especially those with ultralow stiffnesses or asymmetric layouts, yield unique mechanical attributes and levels of functionality that would be difficult or impossible to achieve with conventional two-dimensional designs.

42 ENGINEERING↗
DOE OSTI2024

Vortex fluidic regulated phospholipid equilibria involving liposomes down to sub-micelle size assemblies

Conventional channel-based microfluidic platforms have gained prominence in controlling the bottom-up formation of phospholipid based nanostructures including liposomes. However, there are challenges in the production of liposomes from rapidly scalable processes. These have been overcome using a vortex fluidic device (VFD), which is a thin film microfluidic platform rather than channel-based, affording ~110 nm diameter liposomes. The high yielding and high throughput continuous flow process has a 45° tilted rapidly rotating glass tube with an inner hydrophobic surface. Processing is also possible in the confined mode of operation which is effective for labelling pre-VFD-prepared liposomes with fluorophore tags for subsequent mechanistic studies on the fate of liposomes under shear stress in the VFD. In situ small-angle neutron scattering (SANS) established the co-existence of liposomes ~110 nm with small rafts, micelles, distorted micelles, or sub-micelle size assemblies of phospholipid, for increasing rotation speeds. The equilibria between these smaller entities and ~110 nm liposomes for a specific rotational speed of the tube is consistent with the spatial arrangement and dimensionality of topological fluid flow regimes in the VFD. The prevalence for the formation of ~110 nm diameter liposomes establishes that this is typically the most stable structure from the bottom-up self-assembly of the phospholipid and is in accord with dimensions of exosomes.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

ToPolyAgent: AI agents for coarse-grained bead-spring topological polymer simulations

We introduce ToPolyAgent, a multi-agent AI framework for performing coarse-grained molecular dynamics (MD) simulations of topological polymers through natural language instructions. By integrating large language models (LLMs) with domain-specific computational tools, ToPolyAgent supports both interactive and autonomous simulation workflows across diverse polymer architectures, including linear, ring, brush, and star polymers, as well as dendrimers. The system consists of four LLM-powered agents: a Config Agent for generating initial polymer–solvent configurations, a Simulation Agent for executing LAMMPS-based MD simulations and conformational analyses, a Report Agent for compiling markdown reports, and a Workflow Agent for streamlined autonomous operations. Interactive mode incorporates user feedback loops for iterative refinements, while autonomous mode enables end-to-end task execution from detailed prompts. We demonstrate ToPolyAgent's versatility through case studies involving diverse polymer architectures under varying solvent conditions, thermostats, and simulation lengths. Furthermore, we highlight its potential as a research assistant by directing it to investigate the effect of interaction parameters on the linear polymer conformation, and the influence of grafting density on the persistence length of the brush polymer. By coupling natural language interfaces with rigorous simulation tools, ToPolyAgent lowers barriers to complex computational workflows and advances AI-driven materials discovery in polymer science. It lays the foundation for autonomous and extensible multi-agent scientific research ecosystems.

Ding, Lijie [Oak Ridge National Laboratory (ORNL),↗
DOE OSTI2019

Experience with dynamic resource provisioning of the CMS online cluster using a cloud overlay

The primary goal of the online cluster of the Compact Muon Solenoid (CMS) experiment at the Large Hadron Collider (LHC) is to build event data from the detector and to select interesting collisions in the High Level Trigger (HLT) farm for offline storage. With more than 1500 nodes and a capacity of about 850 kHEPSpecInt06, the HLT machines represent similar computing capacity of all the CMS Tier1 Grid sites together. Moreover, it is currently connected to the CERN IT datacenter via a dedicated 160 Gbps network connection and hence can access the remote EOS based storage with a high bandwidth. In the last few years, a cloud overlay based on OpenStack has been commissioned to use these resources for the WLCG when they are not needed for data taking. This online cloud facility was designed for parasitic use of the HLT, which must never interfere with its primary function as part of the DAQ system. It also allows to abstract from the different types of machines and their underlying segmented networks. During the LHC technical stop periods, the HLT cloud is set to its static mode of operation where it acts like other grid facilities. The online cloud was also extended to make dynamic use of resources during periods between LHC fills. These periods are a-priori unscheduled and of undetermined length, typically of several hours, once or more a day. For that, it dynamically follows LHC beam states and hibernates Virtual Machines (VM) accordingly. Finally, this work presents the design and implementation of a mechanism to dynamically ramp up VMs when the DAQ load on the HLT reduces towards the end of the fill.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

X-pinch X-ray emission on a portable low-current, fast rise-time generator

In this paper, we report on experiments exploring X-ray emission from an X-pinch driven by a small Marx-waterline generator supplying 50 kA with a risetime of 50 ns and a peak voltage of ~250 kV. Both standard crossed wire loads and hybrid loads utilizing conical metal electrodes with a single short wire in between them were studied, and in both cases reliable modes of operation were obtained for X-ray radiography. Soft (few keV) and Hard (>5 keV) X-ray emission characteristics were observed. With standard X-pinches, soft radiation emanated from a small hot spot about 3 μm in size, along with hard radiation from a ~200 μm region close to this hot spot. With hybrid X-pinches, the hot spot was <7 μm in size. Finally, there was a clear correlation between the soft and hard X-ray emission—pinches that produced intense soft X-ray emission from a small hot spot also produced the most intense, localized hard X-ray emission.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Modeling of ExB effects on tungsten re-deposition and transport in the DIII-D divertor

Mixed-material DIVIMP-WallDYN modelling, now incorporating ExB drifts, is presented that simultaneously reproduces tungsten (W) erosion and deposition patterns observed during the DIII-D Metal Rings Campaign, in which a toroidally symmetric set of W-coated tiles were installed in the carbon (C) DIII-D divertor. Since most reactor plasma facing component (PFC) designs call for mixed-material environments, including ITER’s W/Be enviroment, the divertor targets will quickly evolve into reconstitued surfaces of multiple elements. This work identifies controlling physics that affects material migration patterns in the divertor, which impact PFC lifetimes and impurity leakage from the divertor to the core. These simulations indicate that radial and poloidal ExB transport dominates over parallel force balance for high-Z impurities such as W in the divertor region of DIII-D. It is demonstrated that ExB drifts are required to reproduce the experimental observation of non-local W and C co-accumulation in a band ~7-9 cm outboard of the outer-strike-point (OSP) W source, for attached Lmode conditions in the unfavorable ion grad-B drift direction. In addition, W gross erosion is localized to the region outboard of the OSP, as the formation of C co-deposits suppresses W erosion at the strike point. Time-dependent simulations with scaled ExB impurity drifts (60% of the OEDGE-calculated drift velocity) and W re-erosion quantitatively reproduce these features, including depth-resolved W/C ratios, within a factor of 2 over ~115 seconds of accumulated plasma exposure. The location of co-deposition regions is shown to be well represented by an analytic leakage model, driven largely by poloidal ExB drifts. Qualitative agreement is also found between campaign-integrated W deposition measurements and simulations for the favorable ion grad-B drift direction, the standard mode of operation for most tokamaks. Furthermore, these results imply that a longterm inward radial migration of material from the outer divertor through the private flux region may occur in future devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Understanding carbon sourcing and transport originating from the helicon antenna surfaces during high-power helicon discharge in DIII-D Tokamak

The high-power helicon wave system in the DIII-D tokamak could potentially introduce new plasma–material interaction (PMI) challenges owing to rectified RF sheath potentials that develop near the antenna and surrounding plasma-facing components. We present the first application of the STRIPE (Simulated Transport of RF Impurity Production and Emission) framework to helicon-induced PMIs, extending previous STRIPE studies of ICRH antennas by incorporating net erosion, local re-deposition, and three-dimensional global impurity transport. The integrated workflow couples SOLPS, COMSOL, RustBCA, GITR, and GITRm to simulate carbon erosion, re-deposition, and impurity transport for two experimentally constrained DIII-D H-mode helicon operating scenarios with different antenna–plasma gaps, coupled RF powers, and edge plasma conditions. COMSOL predicts rectified RF sheath potentials of 1–5 kV localized near the lower portion of the antenna, where the magnetic field intersects the surface at grazing incidence. Carbon self-sputtering dominates the erosion source, whereas RF-accelerated D + ions contribute approximately 1% of the total gross erosion. The smaller-gap operating scenario exhibits substantially stronger gross erosion, enhanced local re-deposition (∼12%), and a larger confined carbon inventory owing to increased plasma accessibility and broader RF sheath coverage. Comparison with available DIII-D measurements shows no distinct change in the global carbon signal that correlates with the helicon RF pulse, consistent with the simulations indicating that the helicon-generated carbon source remains small compared with the existing background carbon inventory under the present graphite-wall operating conditions. These results demonstrate the capability of STRIPE to integrate RF sheath modeling, plasma transport, surface interaction physics, and three-dimensional impurity transport for the interpretation of helicon-induced PMIs. The study further identifies the principal sources of modeling uncertainty, including grazing-angle RF sheath physics, slow-wave resolution, plasma-background extrapolation, and trace-impurity transport assumptions, providing a framework for future validation and model development.

Kumar, Atul [Oak Ridge National Laboratory (ORNL),↗
DOE OSTI2020

Radio frequency and DC high voltage breakdown of high pressure helium, argon, and xenon

Motivated by the possibility of guiding daughter ions from double beta decay events to single-ion sensors for barium tagging, the NEXT collaboration is developing a program of R&D to test radio frequency (RF) carpets for ion transport in high pressure xenon gas. This would require carpet functionality in regimes at higher pressures than have been previously reported, implying correspondingly larger electrode voltages than in existing systems. This mode of operation appears plausible for contemporary RF-carpet geometries due to the higher predicted breakdown strength of high pressure xenon relative to low pressure helium, the working medium in most existing RF carpet devices. In this paper we present the first measurements of the high voltage dielectric strength of xenon gas at high pressure and at the relevant RF frequencies for ion transport (in the 10 MHz range), as well as new DC and RF measurements of the dielectric strengths of high pressure argon and helium gases at small gap sizes. We find breakdown voltages that are compatible with stable RF carpet operation given the gas, pressure, voltage, materials and geometry of interest.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Overview and status of the Long Baseline Neutrino Facility cryogenics system

The Long Baseline Neutrino Facility (LBNF) serves to provide the infrastructure necessary to support the Deep Underground Neutrino Experiment (DUNE), a growing international experiment to study neutrino science and proton decay. Situated at the Sanford Underground Research Facility (SURF), in Lead, SD, USA, DUNE will employ detectors located within massive cryostats filled with a total of 68,400 tons of ultrapure liquid argon. LBNF provides the cryogenic infrastructure necessary to supply and maintain that argon throughout the life of DUNE, as it enables the study of neutrinos from a new and improved beamline from Fermilab, as well as the dynamics of supernovae responsible for producing the heavy elements necessary for life and the possibility of proton decay. This contribution presents the modes of operation, layout, and main features of the cryogenic systems at LBNF. Those systems expected performance, functional requirements, and overall design status is also featured.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Numerical modeling of a proof-of-principle experiment on optical stochastic cooling at an electron storage ring

Cooling of beams circulating in storage rings is critical for many applications including particle colliders and synchrotron light sources. A method enabling unprecedented beam-cooling rates, optical stochastic cooling (OSC), was recently demonstrated in the Integrable Optics Test Accelerator (IOTA) electron storage ring at Fermilab [J. Jarvis , ]. This paper describes the numerical implementation of the OSC process in the particle-tracking program and discusses the validation of the developed model with available experimental data. The model is also employed to highlight some features associated with different modes of operation of OSC. The developed simulation tool should be valuable in guiding future configurations of optical stochastic cooling and, more broadly, modeling self-field-based beam manipulations. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Nonlinearity in the Dark: Broadband Terahertz Generation with Extremely High Efficiency

Plasmonic metamaterials and metasurfaces offer new opportunities in developing high performance terahertz emitters and detectors beyond the limitations of conventional nonlinear materials. However, simple meta-atoms for second-order nonlinear applications encounter fundamental trade-offs in the necessary symmetry breaking and local-field enhancement due to radiation damping that is inherent to the operating resonant mode and cannot be controlled separately. Here we present a novel concept that eliminates this restriction obstructing the improvement of terahertz generation efficiency in nonlinear metasurfaces based on metallic nanoresonators. This is achieved by combining a resonant dark-state metasurface, which locally drives nonlinear nanoresonators in the near field, with a specific spatial symmetry that enables destructive interference of the radiating linear moments of the nanoresonators, and perfect absorption via simultaneous electric and magnetic critical coupling of the pump radiation to the dark mode. Our proposal allows eliminating linear radiation damping, while maintaining constructive interference and effective radiation of the nonlinear components. We numerically demonstrate a giant second-order nonlinear susceptibility ~10 –11 m/V, a one order improvement compared with the previously reported split-ring-resonator metasurface, and correspondingly, a 2 orders of magnitude enhanced terahertz energy extraction should be expected with our configuration under the same conditions. Here, our study offers a paradigm of high efficiency tunable nonlinear metadevices and paves the way to revolutionary terahertz technologies and optoelectronic nanocircuitry.

42 ENGINEERING↗
DOE OSTI2021

Performance Testing and Assessment of Protection Scheme Using Real-Time Hardware-in-the-Loop and IEC 61850 Standard

The main challenge of the microgrid is to design a suitable protection scheme due to the complexity of the architecture of the microgrid. The importance of the proposed protection technique is threefold. First, it presents a co-simulation platform to integrate between a simulated model on power system computer aided design (PSCAD)/real time digital simulator computer aided design (RSCAD) software’s and physical devices schweitzer engineering laboratories (SEL) 421-7 relays to protect the microgrid that includes different resources connected based on inverter interface. Second, it presents a comprehensive hardware/software setup to test the protective relays in a closed loop system and shows how to configure the protective relay’s International Electrotechnical Commission 61850 communications. Third, IEEE 1588 standard is used to provide sub nanoseconds latency between the simulated model that emulated on real time digital simulator (RTDS) and the external devices. Also, the measurement signals are synchronized between RTDS and the external devices using giga-transceiver synchronization card (GTSYNC) interface card and SEL-2488 satellite-synchronized network clock. The results showed that the co-simulation infrastructure introduces a highly dependable design, analysis, and testing environment for cyber and physical data flow in the system. Besides that, the voltages at ac/dc sides and frequency at fault condition were maintained due to the energy storage device contributions at different modes of operation.

42 ENGINEERING↗
DOE OSTI2019

Influence of Time-of-Flight Chromatic Aberration on the Dynamics of Propagation of Pulsed Electron Beam in Ultrafast Electron Microscopy: A New Strategy for Better Temporal Resolution

A common strategy aimed at achieving a high temporal resolution in ultrafast electron microscopy and diffraction is based on the use of strong electrostatic fields in the accelerating gap to form fast electron pulses of ultrashort duration. In this work, the dynamics of the propagation of ultrashort photoelectron bunches is studied taking into account the time-of-flight chromatic aberration: the spread-out of electron pulses at the exit from the region of the accelerating electric field. The results of the calculation of the duration of photoelectron pulses taking into account Coulomb repulsion are presented. According to the analysis, the use of strong electrostatic fields in the accelerating gap for the formation of fast electron pulses of ultrashort duration is not a necessary condition for achieving the final high temporal resolution in the method of ultrafast electron microscopy. The modes of operation of ultrafast transmission electron microscope were found for which the temporal resolution increases with the growth of time-of-flight chromatic aberration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Perspective—Potential Benefit of Li-Rich Cathode Materials: Reduction of Co and Ni Content Rather than Achievement of Ultra-High Capacities

In the conventional cycling protocol for lithium and manganese rich NMC layered oxides (LMRNMC), the upper cutoff voltage V cut is extended to ~ 4.8, to achieve capacities of similar to 250 mAh g -1 . With this mode of operation, structural rearrangements result in voltage fade upon cycling. Herein, a strategy is proposed to avoid these structural rearrangements based on (a) restricting V cut to values < ~ 4.6 to shut down the bulk instabilities, and (b) application of a (preferably) semi-coherent coating that protects the surface oxygen. The potential benefit of this strategy would be to minimize Co and Ni content, compared to Ni-rich NMC.

25 ENERGY STORAGE↗