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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Servomotor-driven leveling elements for machine tool frame-to-floor alignment

This paper presents the results of aligning the frame to concrete floor of a large 5-axis machine tool by leveling element adjustments using servomotors instead of manual operation. The machine tool leveling elements used in this study are mechanical devices that attach the machine tool frame to the concrete foundation. These leveling elements are also adjustable so that each location along the machine tool can be uniquely adjusted such that the geometric errors of the frame are minimized, and the accuracy of the machine tool is improved. Off-the-shelf servomotors and connection equipment were installed at each of 12 leveling element locations for a precision 5-axis machine tool at Oak Ridge National Laboratory. The servomotors allow a technician to align the machine tool frame remotely, instead of crawling under the machine tool to iteratively manually adjust each of the 12 leveling elements. The open-loop servomotor-leveling element system design is presented in this paper as well as machine tool frame alignment results. The servomotor system significantly reduces leveling element adjustment time, eliminates the need for under-machine access, reduces technician physical strain, and significantly improves the adjustment repeatability.

Honeycutt, Andrew [ORNL]↗
DOE OSTI2021

Enabling Pulse-level Programming, Compilation, and Execution in XACC

Noisy gate-model quantum processing units (QPUs) are currently available from vendors over the cloud, and digital quantum programming approaches exist to run low-depth circuits on physical hardware. These digital representations are ultimately lowered to pulse-level instructions by vendor quantum control systems to affect unitary evolution representative of the submitted digital circuit. Vendors are beginning to open this pulse-level control system to the public via specified interfaces. Robust programming methodologies, software frameworks, and backend simulation technologies for this analog model of quantum computation will prove critical to advancing pulse-level control research and development. Prototypical use cases for this include error mitigation, optimal pulse control, and physics-inspired pulse construction. Here we present an extension to the XACC quantum-classical software framework that enables pulse-level programming for superconducting, gate-model quantum computers, and a novel, general, and extensible pulse-level simulation backend for XACC that scales on classical compute clusters via MPI. Our work enables custom backend Hamiltonian definitions and gate-level compilation to available pulses with a focus on performance and scalability. We end with a demonstration of this capability, and show how to use XACC for pertinent pulse-level programming tasks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Reliability-Informed Economic and Energy Evaluation for Bi-Level Design for Remanufacturing: A Case Study of Transmission and Hydraulic Manifold

Abstract Design for remanufacturing (DfRem) is one attractive strategy that encourages the reuse of a product and extends the product's life cycle. Traditional design processes often only consider product reliability at an early design stage. However, from the perspective of environmental sustainability, it is becoming increasingly important to evaluate the long-term economic and environmental impacts of design decisions during early-stage design. We propose a bi-level DfRem framework consisting of system-level reusability allocation and component-level design tradeoff analysis, considering reliability and product warranty policy. First, a system-level reusability allocation problem aims at a theoretical exploration of the design space where all the components comprising the system are allocated certain reuse rates to achieve target energy savings with minimum cost. Following the theoretical exploration at the system level, a component-level analysis looks at practical design options for each component and trades-off between the overall cost and energy consumption for multiple remanufacturing cycles. Both levels of the framework require modeling component reuse for multiple remanufacturing cycles, which we achieve by using a branched power-law model that provides probabilistic scenarios of reusing the component or replacing it with a new part. We demonstrate the utility of this framework with the case study of an infinitely variable transmission (IVT) used by some agricultural machines manufactured by John Deere and show snapshots of a prototype software tool that we developed for easy use by designers.

Engineering↗
DOE OSTI2022

Exceptionally stable preindustrial sea level inferred from the western Mediterranean Sea

An accurate record of preindustrial (pre-1900 CE) sea level is necessary to contextualize modern global mean sea level (GMSL) rise with respect to natural variability. Precisely dated phreatic overgrowths on speleothems (POS) provide detailed rates of Late Holocene sea-level rise in Mallorca. Statistical analysis indicates that sea level rose locally by 0.12 to 0.31 m (95% confidence) from 3.26 to 2.84 thousand years (ka) ago (2σ) and remained within 0.08 m (95% confidence) of preindustrial levels from 2.84 ka to 1900 CE. This sea-level history is consistent with glacial isostatic adjustment models adopting relatively weak upper mantle viscosities of ~10 20 Pa s. There is virtual certainty (>0.999 probability) that the average GMSL rise since 1900 CE has exceeded even the high average rate of sea-level rise between 3.26 and 2.84 ka inferred from the POS record. We conclude that modern GMSL rise is anomalous relative to any natural variability in ice volumes over the past 4000 years.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

The SODA Approach: Leveraging High-Level Synthesis for Hardware/Software Co-design and Hardware Specialization: Invited

Novel "converged" applications combine phases of scientific simulation with data analysis and machine learning. Each computational phase can benefit from specialized accelerators. However, algorithms evolve so quickly that mapping them on existing accelerators is suboptimal or even impossible. This paper presents the SODA (Software Defined Accelerators) framework, a modular, multi-level, open-source, no-human-in-the-loop, hardware synthesizer that enables end-to-end generation of specialized accelerators. SODA is composed of SODA-Opt, a high-level frontend developed in MLIR that interfaces with domain-specific programming frameworks and allows performing system level design, and Bambu, a state-of-the-art high-level synthesis engine that can target different device technologies. The framework implements design space exploration as compiler optimization passes. We show how the modular, yet tight, integration of the high-level optimizer and lower-level HLS tools enables the generation of accelerators optimized for the computational patterns of converged applications. We then discuss some of the research opportunities that such a framework allows, including system-level design, profile driven optimization, and supporting new optimization metrics.

Bohm Agostini, Nicolas↗
DOE OSTI2020

Reactor Power Level Estimation by Fusing Multi-Modal Sensor Measurements

Estimates of the power level of a nuclear reactor based on measurements from an independent monitoring sensor system can help in the compliance verification of its declared operations. We present a three-level fusion method to estimate the power level of a nuclear reactor using features derived from infrared, electromagnetic, and acoustic sensor measurements collected in proximity to the reactor. Based on a simplified analytical model of the secondary coolant system of the reactor, we identify partial regression functions of the power level in terms of the temperature difference between inlet and outlet of coolant pipes, and the activity levels of four fans and four pumps, which are estimated as features from the sensor measurements. The power level estimator employs a combination of aggregate and complementary fusion steps at three levels to incorporate the multi-modal features in a structure that reflects the secondary cooling system and its partial regression functions. Using the measurements from a test campaign at an operational reactor, we show that this estimator achieves 3.47% or lower root mean square error under 5-fold cross validation. More generally, these results illustrate a progressive reduction in estimation error as additional modalities are appropriately incorporated, and that the fuser outperforms single modality features and their sub-combinations.

Rao, Nageswara↗
DOE OSTI2020

Use of Micro-Gravity Sensors for External Fluid Level Monitoring in Waste and Nuclear Related Applications - 20315

There are a number of applications in nuclear energy and hazardous waste disposal that require monitoring of fluids under extreme environments, including high levels of temperature, pressure, toxicity and radioactivity. Many of these applications will benefit from a monitoring technique that is external and non-invasive. Currently the sensors used are invasive, must reside inside the pressurized vessels and must penetrate the vessel walls, which can create a weakness in the vessel. Additionally, instruments that are used inside such containers must be exceptionally hardened to the environment. Information Systems Laboratories (ISL) has developed an external mass (gravimetric) measuring technique for monitoring nuclear coolant in Small Modular Reactors (SMRs), which will also work for measuring fluid levels in waste tanks, that avoids the problems inherent in invasive sensors. It utilizes a COTS gravitational sensor of unprecedented accuracy, leveraged via proper sensor placement geometry, to detect fluid changes of small amplitude from an outside position, obviating the need to penetrate the vessel. The technique is called Gravisense{sup TM}. ISL has proven via simulation and experiment that this concept can be usefully applied to monitoring fluid levels in both nuclear reactors and large waste tanks. Numerical simulation algorithms were developed to calculate the gravity effect of small changes in water level, which were verified by experiments at the NIST Physical Simulator facility at the Oregon State University. The measured ultralow noise levels of the superconducting gravimeter type which utilizes a Niobium sphere suspended in a magnetic field to attain its phenomenal accuracy, demonstrated that fluid levels in SMRs can be measured at least to within 3 cm. Furthermore, the method can distinguish between a contained leak (from reactor to containment vessel) from an external leak (from reactor to outside of containment). Additionally, simulations of waste canisters that hold spent fuel rods show that the fluid level measuring accuracy can potentially do better than 1 cm accuracy by measuring from below the vessel, and judicious placement of sensors on top of large waste tanks can potentially achieve a very impressive 2 mm measurement accuracy. These encouraging results prove that the Gravisense{sup TM} technique for fluid determination can be very useful in nuclear energy generation, testing, and research, as well as in waste monitoring situations that are difficult to monitor via traditional sensing technology. We believe that the next step should be to test the technique on canisters of the type that are currently storing waste in various DOE locations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Cosmogenic surface exposure ( 10 Be) dating of raised beaches in Marguerite bay, Antarctic Peninsula: Implications for relative sea-level history

Understanding the dynamics of ice mass loss in polar regions is crucial for deciphering climate change and Glacio Isostatic Adjustment patterns. This study focuses on Marguerite Bay, located in the south-central Antarctic Peninsula. We dated raised beaches to investigate relative sea-level changes using the cosmogenic surface exposure ( 10 Be) method. Previous studies have provided valuable insights into the region's glacial history, but limitations in dating techniques and age estimates necessitate further investigation. By analysing raised shingle beaches in Gaul Cove of Horseshoe Island and the southern coast of Calmette Bay, this research aims to contribute relative sea-level change history for these areas. In Horseshoe Island's Gaul Cove, raised beaches clustered on prominent steps reveal a 15 m relative sea-level change over the last 3.31 ka. Differently, Calmette Bay exhibits a 36 m relative sea-level fall over the last 7.29 ka. Finally, these findings indicate significant and differential glacial-isostatic adjustments in both regions during the middle and late Holocene. Additionally, our data reveal accelerated sea-level fall periods corresponding to Holocene deglaciation and glacial advance events, indicating the shorelines' relative sea-level change sensitivity to climate change.

58 GEOSCIENCES↗
DOE OSTI2022

Identification of the defect dominating high temperature reverse leakage current in vertical GaN power diodes through deep level transient spectroscopy

Deep level defects in wide bandgap semiconductors, whose response times are in the range of power converter switching times, can have a significant effect on converter efficiency. We use Deep Level Transient Spectroscopy (DLTS) to evaluate such defect levels in the n- drift layer of vertical GaN (v-GaN) power diodes with VBD ~ 1500 V. DLTS reveals three energy levels that are at ~0.6 eV (highest density), ~0.27 eV (lowest density) and ~ 45 meV (a dopant level) from the conduction band. Dopant extraction from Capacitance-Voltage measurement test (C-V) at multiple temperatures enables trap density evaluation, and the ~0.6 eV trap has a density of 1.2 × 10 15 cm -3 . Here, the 0.6 eV energy level and its density are similar to a defect that is known to cause current collapse in GaN based surface conducting devices (like HEMTs). Analysis of reverse bias currents over temperature in the v-GaN diodes indicates a predominant role of the same defect in determining reverse leakage current at high temperatures, reducing switching efficiency.

42 ENGINEERING↗
DOE OSTI2023

Sea-level rise in Southwest Greenland as a contributor to Viking abandonment

The first records of Greenland Vikings date to 985 CE. Archaeological evidence yields insight into how Vikings lived, yet drivers of their disappearance in the 15th century remain enigmatic. Research suggests a combination of environmental and socioeconomic factors, and the climatic shift from the Medieval Warm Period (~900 to 1250 CE) to the Little Ice Age (~1250 to 1900 CE) may have forced them to abandon Greenland. Glacial geomorphology and paleoclimate research suggest that the Southern Greenland Ice Sheet readvanced during Viking occupation, peaking in the Little Ice Age. Counterintuitively, the readvance caused sea-level rise near the ice margin due to increased gravitational attraction toward the ice sheet and crustal subsidence. We estimate ice growth in Southwestern Greenland using geomorphological indicators and lake core data from previous literature. We calculate the effect of ice growth on regional sea level by applying our ice history to a geophysical model of sea level with a resolution of ~1 km across Southwestern Greenland and compare the results to archaeological evidence. The results indicate that sea level rose up to ~3.3 m outside the glaciation zone during Viking settlement, producing shoreline retreat of hundreds of meters. Sea-level rise was progressive and encompassed the entire Eastern Settlement. Moreover, pervasive flooding would have forced abandonment of many coastal sites. These processes likely contributed to the suite of vulnerabilities that led to Viking abandonment of Greenland. Sea-level change thus represents an integral, missing element of the Viking story.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Validation of finite-element models using full-field experimental data: Levelling finite-element analysis data through a digital image correlation engine

Full-field data from digital image correlation (DIC) provide rich information for finite-element analysis (FEA) validation. However, there are several inherent inconsistencies between FEA and DIC data that must be rectified before meaningful, quantitative comparisons can be made, including strain formulations, coordinate systems, data locations, strain calculation algorithms, spatial resolutions and data filtering. As such, in this paper, we investigate two full-field validation approaches: (1) the direct interpolation approach, which addresses the first three inconsistencies by interpolating the quantity of interest from one mesh to the other, and (2) the proposed DIC-levelling approach, which addresses all six inconsistencies simultaneously by processing the FEA data through a stereo-DIC simulator to ‘level’ the FEA data to the DIC data in a regularisation sense. Synthetic ‘experimental’ DIC data were generated based on a reference FEA of an exemplar test specimen. The direct interpolation approach was applied, and significant strain errorswere computed, even though therewas no model form error, because the filtering effect of theDIC enginewas neglected. In contrast, the levelling approach provided accurate validation results, with no strain error when no model form error was present. Next, model form error was purposefully introduced via a mismatch of boundary conditions. With the direct interpolation approach, the mismatch in boundary conditions was completely obfuscated, while with the levelling approach, it was clearly observed. Finally, the ‘experimental’ DIC datawere purposefully misaligned slightly fromthe FEA data. Both validation techniques suffered from the misalignment, thus motivating continued efforts to develop a robust alignment process. In conclusion, direct interpolation is insufficient, and the proposed levelling approach is required to ensure that the FEA and the DIC data have the same spatial resolution and data filtering. Only after the FEA data have been ‘levelled’ to the DIC data can meaningful, quantitative error maps be computed.

42 ENGINEERING↗
DOE OSTI2023

Effects of HAT-CN Layer Thickness on Molecular Orientation and Energy-Level Alignment with ZnPc

Efficient energy-level alignment is crucial for achieving high performance in organic electronic devices. Because the electronic structure of an organic semiconductor is significantly influenced by its molecular orientation, comprehensively understanding the molecular orientation and electronic structure of the organic layer is essential. In this study, we investigated the interface between a 1,4,5,8,9,11-hexaazatriphenylene hexacarbonitrile (HAT-CN) hole injection layer and a zinc-phthalocyanine (ZnPc) p-type organic semiconductor. To determine the energy-level alignment and molecular orientation, we conducted in situ ultraviolet and X-ray photoelectron spectroscopies, as well as angle-resolved X-ray absorption spectroscopy. We found that the HAT-CN molecules were oriented relatively face-on (40°) in the thin (5 nm) layer, whereas they were oriented relatively edge-on (62°) in the thick (100 nm) layer. By contrast, ZnPc orientation was not significantly altered by the underlying HAT-CN orientation. The highest occupied molecular orbital (HOMO) level of ZnPc was closer to the Fermi level on the 100 nm thick HAT-CN layer than on the 5 nm thick HAT-CN layer because of the higher work function. Consequently, a considerably low energy gap between the lowest unoccupied molecular orbital level of HAT-CN and the HOMO level of ZnPc was formed in the 100 nm thick HAT-CN case. This may improve the hole injection ability of the anode system, which can be utilized in various electronic devices.

42 ENGINEERING↗
DOE OSTI2020

Panel Session 36: Hot Topics in US Commercial Low-Level Waste Management

This panel focused on emerging issues in commercial LLW management in the US from the perspective of active members of the Low-Level Radioactive Waste Forum, Inc. State, compact, federal and industry officials shared their views on a variety of timely and significant topics related to low-level radioactive waste management, disposal and related issues. Session no. 36 Co-Chairs, Patricia Holahan and Daniel Shrum, introduced the panelists and provided a summary of the purpose of the session. This Panel Session focused on several current and emerging issues impacting the commercial Low-Level Radioactive Waste (LLRW) management in the US from the perspective of active members of the Low-Level Waste Forum, Inc., States, Compact, as well as Federal and nuclear industries. The panelists provided different perspectives on number of key issues such as: LLW disposal facility status and updates (e.g.; in terms of disposal capacity, plans, and waste acceptance conditions). The panelists also addressed waste disposal rates and potential impacts of ongoing regulatory developments by the NRC and the concerned States. Other timely topics pertaining to the revision of 10CFR Part 61, the Greater-than-Class C (GTCC) and Transuranic (TRU) waste, and Very Low-Level Waste (VLLW) disposal issues were also addressed at this Session. Panelists with presentations: Hot Topics in US Commercial LLW Management (Joe Weismann); Texas LLRW Compact (David Carlson); Texas Low-Level Radioactive Waste Disposal Compact Commission (John Salsman); Barnwell LLRW Disposal Facility (Benjamin Smith, Bill Carver)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Development of the 3 m{sup 3} Low Level Radioactive Waste Container in Taiwan - 20037

Chinshan Nuclear Power Plant stopped its business operation in July, 2019, and Kuosheng Nuclear Power Plant will also be permanently shut down in 2023. Nuclear Reactor Facilities Regulation Act requires a nuclear facility must be dismantled in 25 years after being permanently ceased operation. According to the approved decommissioning plan of Chinshan Nuclear Power Plant and the proposed one of Kuosheng Nuclear Power Plant, the 3 m{sup 3} low level radioactive waste container is planned to store the low level radioactive wastes with higher radiation produced during the decommissioning. However, 3 m{sup 3} low level radioactive waste containers are not used or developed in Taiwan before. To meet such need, Institute of Nuclear Energy Research develops a new type of 3 m{sup 3} low level radioactive waste container and performs the corresponding analyses and tests based on Guidelines of Applying the Usage License of Low Level Radioactive Waste Containers and Regulations for the Safe Transport of Radioactive Material. In this article, it provides the information of the low level radioactive waste containers that have been approved or is under reviewing in Taiwan, and so do the design specifications of the developed 3 m{sup 3} waste container. Besides, the numerical evaluation and test results of the developed 3 m{sup 3} waste container are also included in this article. Based on the evaluation and test results, the developed 3 m{sup 3} waste container satisfies the requirements of the storage container and industrial package type 2. Institute of Nuclear Energy Research will submit the usage license applications to the authority this year, and the usage licenses would be granted in 2021, expectedly. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Extrapolating Contaminant Effects from Individuals to Populations: A Case Study on Nanoparticle Toxicity to Daphnia Fed Environmentally Relevant Food Levels

Ecological risk assessment (ERA) is charged with assessing the likelihood a chemical will have adverse environmental or ecological effects. When assessing the risk of a potential contaminant to biological organisms, ecologists are most concerned with the sustainability of populations of organisms, rather than protecting every individual. However, ERA most commonly relies on data on the effect of a potential contaminant on individuals because these experiments are more feasible than costly population-level exposures. In this work, we address the challenge of extrapolating these individual-level results to predict population-level effects. Previous per-capita population growth rate estimates calculated from individual-level exposures of Daphnia pulicaria to silver nanoparticles (AgNPs) at different food rations predict a critical daily food requirement for daphnid populations exposed to 200 μg/L AgNPs to avoid extinction. To test this, we exposed daphnid populations to the same AgNP concentration at three different food inputs, with the lowest ration close to the extinction threshold predicted from data on individuals. The two populations with the higher food inputs persisted, and the population with the lowest food input went extinct after 50 days but did persist through two generations. Further, we demonstrate that we can extrapolate between these levels of biological organization by parameterizing an individual-level biomass model with data on individuals’ response to AgNPs and using these parameters to predict the outcome for control and AgNP-exposed populations. Key to successful extrapolation is careful modeling of temporal changes in resource density, driven by both the experimental protocols and feedback from the consumer. The implication for ecotoxicology is that estimates of extinction thresholds based on studies of individuals may be reliable predictors of population outcomes, but only with careful treatment of resource dynamics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Understanding Irrigation Impacts on Low-Level Jets over the Great Plains

Low-level jets (LLJs) over the Great Plains are well-known for their importance in transporting moisture from the Gulf of Mexico and forming precipitation in the Central US. However, the impact of irrigation practice on LLJs is rarely studied. To understand the irrigation impact on the Great Plains LLJs, the Weather Research and Forecasting (WRF) model is employed with and without an irrigation scheme. The simulated wind field is evaluated against the observed wind from Midlatitude Continental Convective Clouds Experiment (MC3E). The results show that adding irrigation improves the simulated wind, especially at lower altitudes below 800 hPa. Irrigation reduces the LLJ frequency over the Great Plains, mainly by reducing the intense LLJ frequency. The reduced LLJ frequency is caused by the irrigation-induced weakening of meridional wind. The favorable conditions for LLJs have been identified by examining the mechanism associated with LLJs: a ridge-like pattern with weak and calm synoptic-scale conditions in the mid-levels and a strong west-east temperature gradient at lower levels that promote meridional winds. Irrigation-induced cooling leads to a baroclinic pattern with high pressure at lower altitudes over the irrigation region and low pressure in the mid- and upper levels in the downstream region, resulting in a northerly component that hinders the formation of LLJs. Low-level surface cooling also decreases the west-east temperature gradient and hence weakens the thermal wind forcing. The irrigation-induced mid-level low and weaker west-east temperature gradient are responsible for the reduced meridional winds and the reduced LLJ frequencies.

Yang, Zhao↗
DOE OSTI2024

Analysis of thermal and mechanical properties with inventory level of the molten salt storage tank in central receiver concentrating solar power plants

Molten salt thermal energy storage (TES) tanks ensure steady power output of concentrating solar power (CSP) plants; however, recent tank failures have highlighted the need for further analysis. Current studies primarily focus on analyzing the molten salt flow, heat transfer, and thermal efficiency. Additionally, research on the latest tank structures is limited and lacks newest experimental validation. This study measures temperature and molten salt inventory levels in the high-temperature tank at a 50 MW central receiver CSP plant, connected to the power grid in 2019. A multi-physics model was developed to evaluate thermal and mechanical properties of TES tanks by combining computational fluid dynamics and finite element modeling using real plant data. Heat loss, temperature, displacement, and stress distribution of the tank at different inventory levels were investigated. Results show that ambient air velocity near the tank roof reaches 2.14 m/s, much higher than 0.2 m/s near the wall. The temperatures of inventory fluid and tank are close, varying slightly at different levels due to thermal conduction and radiation. Because the heat loss strongly depends on temperature, the total tank loss remains nearly constant across inventory levels. Larger temperature gradients and thermal stresses are primarily localized along the tank floor edge and the air-salt interface. Notably, the maximum thermal stress at the tank edge is three times higher than that at the interface. The magnitude of total stress changes by less than 5 MPa with and without thermal load, indicating that high temperatures exert only a minor impact on tank stress. In contrast, thermal load significantly affects tank deformation, particularly at the roof edge, where values exceed 150 mm. Despite the large variation in molten salt levels, tank wall temperatures and displacements present a minor change, suggesting a weak correlation with inventory levels. In conclusion, the findings obtained in this study provide important insights on the TES tank that could be used to optimize tank design and operation strategies.

14 SOLAR ENERGY↗
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↗