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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Spectroscopy and dynamics of the v = 1 levels derived from the OH(D) stretching modes in the I‾∙HDO complex using CW and time-resolved, resonant two-photon infrared excitation of the cryogenically cooled ions

The vibrational energy levels of the two isotopomers adopted by the I‾∙HDO ion-molecule complex occur such that the OH(D) stretching fundamentals span its dissociation energy, thus enabling a spectroscopic investigation of the dynamics displayed by a system prepared in the vicinity of the dissociation threshold. This regime is explored using infrared photoexcitation of the mass-selected complexes cooled in a cryogenic radiofrequency (Paul) ion trap. Survey spectra are obtained at modest resolution using two-color, IR-IR photodissociation with nanosecond lasers to establish the level structure and unimolecular decay dynamics of the v = 1 and 2 levels of the bound OH(D) oscillator. The v = 1 levels are prepared by fixed frequency excitation in the trap and the absorption spectra arising from this excited state are probed by photofragmentation of the complex with a second pulsed IR laser after a variable delay time (0 to 20 ms). The transitions to levels above the dissociation threshold for I‾ + HDO formation are observed to be sharp (~5 cm -1 FWHM). At low pressure, the bound OD (v = 1) population relaxes very slowly (~3 ms), consistent with resonant fluorescence in the IR. The collisional quenching rate constants of this level by the He buffer gas were estimated to be on the order 3 x 10 -12 cm 3 /s based on a crude Stern-Volmer analysis. Here, the rotational fine structure and linewidths (≲0.01 cm -1 FWHM) arising from transitions of the non-bonded OH stretch fundamental of the OD-bound isotopomer that lies just above the dissociation energy are determined using single photon photodissociation by excitation of the 10 K ions with a single-frequency, CW IR laser in the ion trap.

Cryogenic ion infrared spectroscopy↗
DOE OSTI2020

Assessing Collision Cross Section Calibration Strategies for Traveling Wave-Based Ion Mobility Separations in Structures for Lossless Ion Manipulations

The collision cross section (CCS) is an important property that aids in the structural characterization of molecules. Here, we investigated the CCS calibration accuracy with traveling waves ion mobility spectrometry (TWIMS) separations in structures for lossless ion manipulations (SLIM) using three sets of calibrants. A series of singly negatively-charged phospholipids and bile acids were calibrated in nitrogen buffer gas using two different TW waveform profiles (square and sine) and amplitudes (20 V0-p, 25 V0-p, and 30 V 0-p ). The calibration errors for the three calibrant sets Agilent tuning mixture and polyalanine, and one assembled in-house showed negligible differences using a sine-shaped TW waveform. Furthermore, calibration errors were all within 1-2 % of the DTIMS measurements, with lower errors for sine waveforms, presumably due to the lower average and maximum fields experienced by ions. Finally, ultrahigh resolution multi-pass (long path length) SLIM TWIMS demonstrated improved CCS calibration for phospholipid and bile acid isomers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Isomer-specific, Cryogenic Ion Vibrational Spectroscopy Investigation of D2-and N2- Tagged, Protonated Formic Acid Complexes Using Two Color, IR-IR Photobleaching

Here we analyze cryogenic ion vibrational spectra of tagged protonated formic acid (PFA) with electronic structure and anharmonic vibrational calculations to establish the isomers generated by electrospray ionization (ESI) followed by buffer gas cooling to ~25 K. Two isomers are identified (the trans form (E,Z) and the cis form (E,E)) and generated in comparable abundance despite the fact that the calculated E,E structure lies 6.40 kJ mol-1 above the E,Z form. A large (~60 kJ mol-1) barrier separates them such that the E,E form can be kinetically trapped upon cooling in the ion trap. The anticooperativity between the H-bonds of the OH groups is explored by measuring the shift in the D2-bound OH fundamental when a second D2 is attached. Both isomers are observed in the N2-tagged counterparts, displaying the expected red-shifted OH bands. These results indicate that ESI generates both isomers and both must be considered when analyzing cluster spectra based on the PFA core ion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Demonstration of Super-X divertor exhaust control for transient heat load management in compact fusion reactors

Nuclear fusion could offer clean, abundant energy. However, managing the power exhausted from the core fusion plasma towards the reactor wall remains a major challenge. This is compounded in emerging compact reactor designs promising more cost-effective pathways towards commercial fusion energy. Alternative Divertor Configurations (ADCs) are a potential solution. In this work, we demonstrate exhaust control in ADCs, employing a novel method to diagnose the neutral gas buffer, which shields the target. Our work on the Mega Ampere Spherical Tokamak Upgrade shows that ADCs tackle key risks and uncertainties for fusion energy. Their highly reduced sensitivity to perturbations enables active exhaust control in otherwise unfeasible situations and facilitates an increased passive absorption of transients, which would otherwise damage the divertor. We observe a strong decoupling of each divertor from other reactor regions, enabling near-independent control of the divertors and core plasma. Our work showcases the real-world benefits of ADCs for effective heat load management in fusion power reactors.

Imaging techniques↗
DOE OSTI2025

Divertor shaping with neutral baffling as a solution to the tokamak power exhaust challenge

Exhausting power from the hot fusion core to the plasma-facing components is one fusion energy’s biggest challenges. The MAST Upgrade tokamak uniquely integrates strong containment of neutrals within the exhaust area (divertor) with extreme divertor shaping capability. By systematically altering the divertor shape, this study shows the strongest evidence to date to our knowledge that long-legged divertors with a high magnetic field gradient (total flux expansion) deliver key power exhaust benefits without adversely impacting the hot fusion core. These benefits are already achieved with relatively modest geometry adjustments that are more feasible to integrate in reactor designs. Benefits include reduced target heat loads and improved access to, and stability of, a neutral gas buffer that ‘shields’ the target and enhances power exhaust (detachment). Analysis and model comparisons shows these benefits are obtained by combining multiple shaping aspects: long-legged divertors have expanded plasma-neutral interaction volume that drive reductions in particle and power loads, while total flux expansion enhances detachment access and stability. Containing the neutrals in the exhaust area with physical structures further augments these shaping benefits. These results demonstrate strategic variation in the divertor geometry and magnetic topology is a potential solution to one of fusion’s power exhaust challenge.

magnetically confined plasmas↗
DOE OSTI2025

Performance of 3 cm 3 ion trap vacuum package sealed for 10 years

Miniature atomic clocks based on the interrogation of the ground state hyperfine splitting of buffer gas cooled ions confined in radio frequency Paul traps have shown great promise as high precision prototype clocks. We report on the performance of two miniature ion trap vacuum packages after being sealed for as much as 10 years. We find the lifetime of the ions within the trap has increased over time for both traps and can be as long as 50 days. We form two clocks using the two traps and compare their relative frequency instability one with another to demonstrate a short-term instability of 5×10 -13 $τ$ -1/2 integrating down to 1×10 -14 after 2 ks of integration. The trapped ion lifetime and clock instability demonstrated by these miniature devices despite only being passively pumped for many years represents a critical advance toward their proliferation in the clock community.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Isomers and band assignments in the cryogenic vibrational spectrum of the binary complex between water and protonated formic acid using two color, IR–IR photobleaching and H/D isotopic substitution

Protonated formic acid (PFA) is purported to be the active species in the catalytic activation of condensation reactions at the acidic interface of microdroplets. Here, we investigate the fundamental interaction between PFA and water with cryogenic ion vibrational spectroscopy of the binary PFA–H 2 O complexes generated via electrospray ionization followed by buffer gas cooling to about 20 K. The patterns displayed by the isomer-specific IR spectra of D 2 -tagged PFA–H 2 O indicate that two distinct, non-interconverting rotamers are present at low temperatures based on the cis and trans structures of the HCO 2 $H$$^{+}_{2}$ core ion. Both of these occur with the water molecule attached to the OH that is in a cis-configuration relative to the CH group (denoted E), but differ in the E vs Z (cis vs trans relative to the CH group) orientation of the spectator OH. This assignment scheme corrects a previous theoretical analysis that invoked a scenario in which structures with E- and Z-bound water molecules interconvert at low (20 K) temperatures. Isomer-specific bands arising from the OH stretches and water bending modes are deconvoluted using isotopomer-specific spectroscopy of the complexes with partial H/D exchange. The dependence of the nominal shared proton OH stretch frequency on the deuteration of the tethered water confirms strong coupling between this mode and the water bending fundamental.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Fast optical transport of ultracold molecules over long distances

Abstract Optically trapped laser-cooled polar molecules hold promise for new science and technology in quantum information and quantum simulation. Large numerical aperture optical access and long trap lifetimes are needed for many studies, but these requirements are challenging to achieve in a magneto-optical trap (MOT) vacuum chamber that is connected to a cryogenic buffer gas beam source, as is the case for all molecule laser cooling experiments so far. Long distance transport of molecules greatly eases fulfilling these requirements as molecules are placed into a region separate from the MOT chamber. We realize a fast transport method for ultracold molecules based on an electronically focus-tunable lens combined with an optical lattice. The high transport speed is achieved by the 1D red-detuned optical lattice, which is generated by interference of a focus-tunable laser beam and a focus-fixed laser beam. Efficiency of 48(8)% is realized in the transport of ultracold calcium monofluoride (CaF) molecules over 46 cm distance in 50 ms, with a moderate heating from 32(2) μ K to 53(4) μ K. Positional stability of the molecular cloud allows for stable loading of an optical tweezer array with single molecules.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

YbH + formation in an ytterbium ion trap

The trapped 171 Yb + ion is a promising candidate for portable atomic clock applications. However, with buffer-gas cooled ytterbium ions, the ions can be pumped into a low-lying 2 F 7 / 2 state or form YbH + molecules. These dark states reduce the fluorescence signal from the ions and can degrade the clock stability. In this work, we study the dynamics of the populations of the 2 F 7 / 2 state and YbH + molecules under different operating conditions of our 171 Yb + ion system. Our study indicates that 2 F 7 / 2 -state ions can form YbH + molecules through interactions with hydrogen gas. As observed previously, dissociation of YbH + is observed at wavelengths around 369 nm. We also demonstrate YbH+ dissociation using 405 nm light. Moreover, we show that the population in the dark states can be limited by using a single repump laser at 935 nm. Our study provides insights into the molecular formation in a trapped ion system.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

High-sensitivity multi-channel atomic magnetometer

High-sensitivity multi-channel atomic magnetometers are described. Methods for operating multi-channel atomic magnetometers are also described. Moreover, devices incorporating a plurality of multi-channel atomic magnetometers are described. A multi-channel atomic magnetometer may use the spin-exchange relaxation-free (SERF) technique. A multi-channel atomic magnetometer may achieve multi-channel operation in a single module, reducing the cost of sensors. A multi-channel atomic magnetometer may be a 16-channel atomic magnetometer. A multi-channel atomic magnetometer may include a single large vapor cell including alkali-metal atoms and at least one buffer gas that restricts motion of atomic spins of the alkali-metal atoms, thereby making relatively small internal cell volumes act as a multiple independent local sensing channels. A multi-channel atomic magnetometer may include a broad pump beam that simultaneously polarizes all (or substantially all) of the alkali-metal atoms in each internal sensing volume of the vapor cell, and a broad probe beam that simultaneously measures magnetic fields at multiple sensing volumes with a photodiode array.

Kim, Young Jin↗
DOE OSTI2024

Modeling gas migration through clay-based buffer material using coupled multiphase fluid flow and geomechanics with stress-dependent gas permeability

A model for gas migration through clay-based buffer material is developed for modeling gas generation and migration associated with deep geologic nuclear waste disposal. The model is based on a multiphase fluid flow and geomechanics simulator that is adapted to consider enhanced gas flow when gas pressure is high enough to approach the confining stress magnitude. A key feature in the model is a direct coupling between gas permeability and stress, through a non-linear stress-dependent permeability function. The model was first tested and calibrated by modelling two different laboratory gas migration tests on Wyoming (MX-80) bentonite samples. The calibrated model was then applied to model gas migration through a bentonite buffer of a large-scale gas injection test (Lasgit) conducted at the Äspö Hard Rock Laboratory in Sweden. Observed preferential gas migration along interfaces (between compacted blocks and along the canister surface) required explicit representation of such interfaces in the model. The model with the stress-dependent gas permeability accurately captured observed experimental responses in terms of gas breakthrough time, peak gas pressure, and cumulative gas flow rates. The calibrated model was finally applied to simulate migration of hydrogen gas generated within a breached nuclear waste canister over 10,000 years, involving migration of much larger gas volumes. For the considered gas generation rate and host rock properties, the generated gas could migrate through the bentonite buffer and released into the surrounding host rock at a maximum gas pressure somewhat higher than the initial total stress, though a significant amount of hydrogen remained within the buffer. This modelling sets the stage for further detailed analysis of the impact of hydrogen gas generation on the long-term performance of nuclear waste repositories.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Gas-mediated trace element incorporation into rhyolite-hosted topaz: A synchrotron microbeam XAS study

Magmatic gas exsolving during late-stage cooling of shallow magmas has been considered an important facilitator of low-pressure alteration and metal transport. However, the chemical properties of such gas, particularly its metal transport mechanisms and capacity, remain elusive. Trace elements in minerals produced by gas-mediated surface reaction or precipitation from gas capture details of gas composition and reaction pathways. However, interpretation of mineral trace element contents is dependent on understanding crystallographic controls on gas/mineral partitioning. Here, this work investigates the structural accommodation of As, Mn, Ga, Ge, Fe, and Ti in vapor-deposited topaz of vesicular topaz rhyolite from the Thomas Range, Utah, through single-crystal synchrotron microbeam X-ray techniques on picogram quantities of those trace elements. X-ray absorption near edge structure (XANES) data indicates that these elements are incorporated into topaz as As 5+ , Fe 3+ , Mn 3+ , Ti 4+ , Ga 3+ , and Ge 4+ . Extended X-ray absorption fine structure (EXAFS) analysis for these trace elements, compared to EXAFS of structural Al and Si, reveals that As 5+ and Ge 4+ are incorporated directly into the tetrahedral site of the topaz structure, with the octahedral site accommodating Mn 3+ , Fe 3+ , Ga 3+ , and Ti 4+ . For As 5+ and Fe 3+ , the structural impact of substitution extends to at least second neighbors (other elements were only resolvable to first neighbors). Further interpretation of the EXAFS results suggests that the substitution of Ti 4+ results in increased distortion of the octahedral site, while the other trace elements induce more uniform expansion correlating in magnitude to their ionic radius. Comparison of quantified X-ray fluorescence (XRF) data for two topaz crystals from this rhyolite reveals variable trace element concentrations for As 5+ , Fe 3+ , Ga 3+ , and Ti 4+ , reflective of a source gas undersaturated in these trace elements changing in concentration over the period of topaz deposition. The identical Ge 4+ content of the two topaz crystals suggests that Ge 4+ in the gas was buffered by the growth of another Ge 4+ -bearing phase, such as quartz. The very low Mn 3+ content in the topaz crystals does not reflect the abundance of Mn 3+ in the gas (saturation of Mn is evidenced by coexisting bixbyite). Instead, it suggests a strong Jahn-Teller inhibitory effect to the substitution of Mn 3+ for Al 3+ in the distorted octahedral site of topaz. It is proposed that exsolution of an HF-enriched gas from cooling rhyolitic magma led to local scouring of Al, Si, and trace metals from the magma. Once topaz crystals nucleated, self-catalyzed reactions that recycle HF led to continued growth of topaz.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Impact of landscape design on the greenhouse gas emissions of shrub willow bioenergy buffers in a US Midwest corn-production landscape

Previous studies have evaluated the economics and ecosystem services of perennial bioenergy crops when replacing grain crops on marginal (environmentally critical and/or underproductive) lands. This study used life-cycle analysis (LCA) to investigate the greenhouse gas (GHG) emissions of perennial crops when grown in targeted landscape positions and their impact in reducing nitrogen leaching. Specifically, LCA was performed to evaluate the GHG emissions of growing shrub willow on marginal lands in the Indian Creek watershed in Illinois to assess the sustainability of strategically planted willow buffer strips. Willow was grown as a short-rotation woody crop with a 21-year rotation under three scenarios including a business-as-usual (BAU) field-scale production with nitrogen fertilizer application and two unfertilized subfield buffer scenarios – landscape single subfield (LSSF) or landscape multiple subfields (LMSF) – grown alongside cornfields to reduce nitrate leaching. Each scenario also considers three field sizes, 2.0, 10.1, and 40.5 ha. The average annual GHG emissions from willow production and depot transportation were 0.32–0.77 Mg-CO 2 e ha-1 with the lowest emissions for the LSSF scenario and highest for the BAU. The GHG emissions for the LSSF and BAU scenarios are independent of field size, whereas LMSF emissions increase with increasing field size, 0.41 Mg-CO 2 e ha-1 at 2.0 ha and 0.76 Mg-CO 2 e ha-1 at 40.5 ha. Emission results were most sensitive to the willow yield, followed by fertilizer application rate (BAU only), harvest fuel consumption, and transportation distance.

09 BIOMASS FUELS↗
DOE OSTI2023

Characterizing Hydrogen Storage Potential in U.S. Underground Gas Storage Facilities

Abstract Underground hydrogen storage is a long‐duration energy storage option for a low‐carbon economy. Although research into the technical feasibility of underground hydrogen storage is ongoing, existing underground gas storage (UGS) facilities are appealing candidates for the technology because of their ability to store and deliver natural gas. We estimate that UGS facilities in the United States (U.S.) can store 327 TWh (9.8 MMT) of pure hydrogen. A complete transition to hydrogen storage would reduce the collective working‐gas energy of UGS facilities by ∼75%; however, most (73.2%) UGS facilities could maintain current energy demand using a 20% hydrogen‐natural gas blend. U.S. UGS facilities can buffer 23.9%–44.6% of the high and low hydrogen demand projected for 2050, respectively, which exceeds the current percentage of natural gas demand buffered by storage. Thus, transitioning UGS infrastructure to hydrogen could substantially reduce the number of new hydrogen storage facilities needed to support a hydrogen economy.

08 HYDROGEN↗
DOE OSTI2022

A High Temperature Gas Reactor Integrated Energy System Using Energy Storage as a Buffer for Hydrogen Production

Analysis of an integrated energy system producing hydrogen in a high temperature steam electrolysis system via steam provided by a sensible heat thermal energy storage system charged by a high temperature gas reactor. Preliminary results over a continuous discharge cycle and single charging cycle shows minimal reactor impact despite 25% electrical power load change. Hydrogen production is held constant with steam provided by the thermal energy storage system.

08 HYDROGEN↗
DOE OSTI2022

Precooling system utilizing cryogenic liquid fuels for fueling pressurized vehicle gaseous onboard storage tank system with controlled dispensing temperatures

A method and a precooling system are provided for precooling gaseous fuel supplied for fueling pressurized gaseous vehicle onboard storage tank systems. The precooling system is used in pressurized gaseous fueling stations with source fuels in cryogenic state, such as liquid hydrogen (LH2) and liquefied nature gas (LNG). A thermal buffer heat exchanger includes a heat exchanger medium, and a cold loop and a warm loop contained in the heat exchanger medium. A control unit is configured for controlling cryogenic fuel supplied to the cold loop for cooling the thermal buffer heat exchanger. The thermal buffer heat exchanger enables precooling high pressure gaseous fuel to a preset temperature supplied to a dispenser supplying high pressure gaseous fuel to refuel a vehicle onboard storage tank system.

Elgowainy, Amgad A.↗
DOE OSTI2023

Measuring environmental and cost benefits of riparian buffers for drinking water production in a Midwest watershed

Here, this study focuses on the economic value and carbon benefits of riparian buffers in urban drinking water production. The impact of riparian buffers on the waterworks operation in the Raccoon River watershed was quantified using the following metrics: nitrate concentration, days of nitrate removal operation, material and energy cost (based on 17 years of historical records with a watershed model), regression, and cost analysis. The findings indicate that the presence of riparian buffers in agricultural land can substantially decrease nitrate concentration in the water intake of the waterworks during the crop-growing season: 19% in April, 9% in May, and 11% in June. These reductions mean less nitrate treatment of the plant intake flow: 23% in April, 12% in May, and 3% in June. These changes lead to significant resource savings: 425 metric tons of sodium chloride (NaCl), 147 810 kWh of electricity, 253 metric tons of powdered activated carbon, and 20.8 million liters of fresh water. The buffers would also reduce greenhouse gas emissions by 86.9 metric tons (CO 2 equivalent) in 17 years. The total cost saving was estimated at $\$$327 326, with the highest potential savings in May ($\$$215 100), followed by April ($\$$65 465), and June ($\$$46 761). When factoring in buffer installation, cropland loss, nitrate removal, and cost associated with buffer harvest for biofuel in an established biomass market, the benefit to the entire watershed community would be $\$$2.63 million annually. The results underscore the significant cost benefits and environmental benefits associated with cropland riparian buffers in a watershed community. The approach employed in this study holds promise for assessing riparian buffer benefits in other watersheds, contributes to an understanding of sustainable water management practices, and provides a basis for decision making in a wide range of agricultural regions.

54 ENVIRONMENTAL SCIENCES↗