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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
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 OSTI2015

Reduced graphene oxide mid-infrared photodetector at 300 K

We report on uncooled mid-infrared photovoltaic responses at 300 K arising in heterojunctions of reduced graphene oxide with p-Si. Two major photoresponse spectral peaks are observed, one in the near infrared starting at 1.1 μm corresponding to electron-hole pair generation in the Si substrate, and another at wavelengths below 2.5 μm, arising from properties of the reduced graphene oxide-Si heterojunction. Our analysis of the current-voltage characteristics at various temperatures suggests that the two materials form a type-II (broken-gap) heterojunction, with a characteristic transition between direct tunneling to field emission, to over-the-barrier excitation with increasing reverse voltage. Illumination was found to affect the onset of the transition between direct tunneling and field-emission, suggesting that the mid infrared response results from the excitation of minority carriers (electrons) from the Si and their collection in the reduced graphene oxide contact. The photoresponse near 1.1 μm showed a time constant at least five times faster than the one at 2.5 μm, which points to surface defects as well as high series resistance and capacitance as potentially limiting factors in this mode of operation. With proper device engineering considerations, these devices could be promising as a graphene-based platform for infrared sensing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Low-noise kinetic inductance traveling-wave amplifier using three-wave mixing

We have fabricated a wide-bandwidth, high dynamic range, low-noise cryogenic amplifier based on a superconducting kinetic inductance traveling-wave device. The device was made from NbTiN and consisted of a long, coplanar waveguide on a silicon chip. By adding a DC current and an RF pump tone, we are able to generate parametric amplification using three-wave mixing (3WM). The devices exhibit gain of more than 15 dB across an instantaneous bandwidth from 4 to 8 GHz. The total usable gain bandwidth, including both sides of the signal-idler gain region, is more than 6 GHz. The noise referred to the input of the devices approaches the quantum limit, with less than 1 photon excess noise. We compare these results directly to the four-wave mixing amplification mode, i.e., without DC-biasing. We find that the 3WM mode allows operation with the pump at lower RF power and at frequencies far from the signal. We have used this knowledge to redesign the amplifiers to utilize primarily 3WM amplification, thereby allowing for direct integration into large scale qubit and detector applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Coaxial GaAs-AlGaAs core-multishell nanowire lasers with epitaxial gain control

We demonstrate the growth and single-mode lasing operation of GaAs-AlGaAs core-multishell nanowires (NW) with radial single and multiple GaAs quantum wells (QWs) as active gain media. When subject to optical pumping lasing emission with distinct s-shaped input-output characteristics, linewidth narrowing and emission energies associated with the confined QWs are observed. Comparing the low temperature performance of QW NW laser structures having 7 coaxial QWs with a nominally identical structure having only a single QW shows that the threshold power density reduces several-fold, down to values as low as ∼2.4 kW/cm{sup 2} for the multiple QW NW laser. This confirms that the individual radial QWs are electronically weakly coupled and that epitaxial design can be used to optimize the gain characteristics of the devices. Temperature-dependent investigations show that lasing prevails up to 300 K, opening promising new avenues for efficient III–V semiconductor NW lasers with embedded low-dimensional gain media.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Handling the influence of chemical shift in amplitude-modulated heteronuclear dipolar recoupling solid-state NMR

We present a theoretical analysis of the influence of chemical shifts on amplitude-modulated heteronuclear dipolar recoupling experiments in solid-state NMR spectroscopy. The method is demonstrated using the Rotor Echo Short Pulse IRrAdiaTION mediated Cross-Polarization ({sup RESPIRATION}CP) experiment as an example. By going into the pulse sequence rf interaction frame and employing a quintuple-mode operator-based Floquet approach, we describe how chemical shift offset and anisotropic chemical shift affect the efficiency of heteronuclear polarization transfer. In this description, it becomes transparent that the main attribute leading to non-ideal performance is a fictitious field along the rf field axis, which is generated from second-order cross terms arising mainly between chemical shift tensors and themselves. This insight is useful for the development of improved recoupling experiments. We discuss the validity of this approach and present quaternion calculations to determine the effective resonance conditions in a combined rf field and chemical shift offset interaction frame transformation. Based on this, we derive a broad-banded version of the {sup RESPIRATION}CP experiment. The new sequence is experimentally verified using SNNFGAILSS amyloid fibrils where simultaneous {sup 15}N → {sup 13}CO and {sup 15}N → {sup 13}C{sub α} coherence transfer is demonstrated on high-field NMR instrumentation, requiring great offset stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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 OSTI2015

Pooling the resources of the CMS Tier-1 sites

The CMS experiment at the LHC relies on 7 Tier-1 centres of the WLCG to perform the majority of its bulk processing activity, and to archive its data. During the first run of the LHC, these two functions were tightly coupled as each Tier-1 was constrained to process only the data archived on its hierarchical storage. This lack of flexibility in the assignment of processing workflows occasionally resulted in uneven resource utilisation and in an increased latency in the delivery of the results to the physics community.The long shutdown of the LHC in 2013-2014 was an opportunity to revisit this mode of operations, disentangling the processing and archive functionalities of the Tier-1 centres. The storage services at the Tier-1s were redeployed breaking the traditional hierarchical model: each site now provides a large disk storage to host input and output data for processing, and an independent tape storage used exclusively for archiving. Movement of data between the tape and disk endpoints is not automated, but triggered externally through the WLCG transfer management systems.With this new setup, CMS operations actively controls at any time which data is available on disk for processing and which data should be sent to archive. Thanks to the high-bandwidth connectivity guaranteed by the LHCOPN, input data can be freely transferred between disk endpoints as needed to take advantage of free CPU, turning the Tier-1s into a large pool of shared resources. The output data can be validated before archiving them permanently, and temporary data formats can be produced without wasting valuable tape resources. Lastly, the data hosted on disk at Tier-1s can now be made available also for user analysis since there is no risk any longer of triggering chaotic staging from tape.In this contribution, we describe the technical solutions adopted for the new disk and tape endpoints at the sites, and we report on the commissioning and scale testing of the service. We detail the procedures implemented by CMS computing operations to actively manage data on disk at Tier-1 sites, and we give examples of the benefits brought to CMS workflows by the additional flexibility of the new system.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2017

Stability and scalability of the CMS Global Pool: Pushing HTCondor and glideinWMS to new limits

The CMS Global Pool, based on HTCondor and glideinWMS, is the main computing resource provisioning system for all CMS workflows, including analysis, Monte Carlo production, and detector data reprocessing activities. The total resources at Tier-1 and Tier-2 grid sites pledged to CMS exceed 100,000 CPU cores, while another 50,000 to 100,000 CPU cores are available opportunistically, pushing the needs of the Global Pool to higher scales each year. These resources are becoming more diverse in their accessibility and configuration over time. Furthermore, the challenge of stably running at higher and higher scales while introducing new modes of operation such as multi-core pilots, as well as the chaotic nature of physics analysis workflows, places huge strains on the submission infrastructure. This paper details some of the most important challenges to scalability and stability that the CMS Global Pool has faced since the beginning of the LHC Run II and how they were overcome.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
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 OSTI2017

Status of the LBNF Cryogenic System

We present that the Sanford Underground Research Facility (SURF) will host the Deep Underground Neutrino Experiment (DUNE), an international multi-kiloton Long-Baseline neutrino experiment that will be installed about a mile underground in Lead, SD. In the current configuration four cryostats will contain a modular detector and a total of 68,400 tons of ultrapure liquid argon, with a level of impurities lower than 100 parts per trillion of oxygen equivalent contamination. The Long-Baseline Neutrino Facility (LBNF) provides the conventional facilities and the cryogenic infrastructure to support DUNE. The system is comprised of three sub-systems: External/Infrastructure, Proximity and Internal cryogenics. An international engineering team will design, manufacture, commission, and qualify the LBNF cryogenic system. This contribution presents the modes of operations, layout and main features of the LBNF cryogenic system. Lastly, the expected performance, the functional requirements and the status of the design are also highlighted.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
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↗