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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Bimolecular Chemistry in the Ultracold Regime

Advances in atomic, molecular, and optical physics techniques allowed the cooling of simple molecules down to the ultracold regime ([Formula: see text]1 mK) and opened opportunities to study chemical reactions with unprecedented levels of control. This review covers recent developments in studying bimolecular chemistry at ultralow temperatures. We begin with a brief overview of methods for producing, manipulating, and detecting ultracold molecules. We then survey experimental works that exploit the controllability of ultracold molecules to probe and modify their long-range interactions. Further combining the use of physical chemistry techniques such as mass spectrometry and ion imaging significantly improved the detection of ultracold reactions and enabled explorations of their dynamics in the short range. We discuss a series of studies on the reaction KRb + KRb → K 2 + Rb 2 initiated below 1 μK, including the direct observation of a long-lived complex, the demonstration of product rotational state control via conserved nuclear spins, and a test of the statistical model using the complete quantum state distribution of the products.

Chemistry↗
DOE OSTI2020

Monitoring the Caustic Dissolution of Aluminum Alloy in a Radiochemical Hot Cell Using Raman Spectroscopy

Chemical processing of highly radioactive materials commonly takes place in heavily shielded hot cells. The remote, real-time monitoring of chemical processing streams via optical spectroscopic techniques in hot cells may be particularly useful. Here in this paper, we describe the implementation of Raman spectroscopy and chemometric analysis to monitor the dissolution of aluminum-clad targets containing irradiated aluminum–neptunium oxide cermet pellets in caustic solutions in a hot cell environment. Partial least squares regression analysis was used to generate calibration models to quantify the concentration of dissolved aluminum, nitrate, and hydroxide in solutions within the radiochemical hot cell. This work explored a systematic approach to optimize a matrix of calibration standards using a D-optimal experimental design. The Design of Experiments-based regression model, in comparison to more traditional analytical approaches, was found to be the more practical method for building calibration models, with fewer samples, to obtain informative analytical data from Raman spectra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Single-pass Cr:ZnSe amplifier for broadband infrared undulator radiation

An amplifier based on a highly-doped chromium zinc-selenide (Cr:ZnSe) crystal is proposed to increase the pulse energy emitted by an electron bunch after it passes through an undulator magnet. The primary motivation is a possible use of the amplified undulator radiation emitted by a beam circulating in a particle accelerator storage ring to increase the particle beam’s phase-space density—a technique dubbed optical stochastic cooling (OSC). This paper uses a simple four energy level model to estimate the single-pass gain of Cr:ZnSe and presents numerical calculations combined with wave-optics simulations of undulator radiation to estimate the expected properties of the amplified undulator wave-packet.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

High-speed two-dimensional terahertz spectroscopy with echelon-based shot-to-shot balanced detection

By using a reflective-echelon-based electro-optic sampling technique and a fast detector, we develop a two-dimensional terahertz (THz) spectrometer capable of shot-to-shot balanced readout of THz waveforms at a full 1-kHz repetition rate. To demonstrate the capabilities of this new detection scheme for high-throughput applications, we use gas-phase acetonitrile as a model system to acquire two-dimensional THz rotational spectra. The results show a two-order-of-magnitude speedup in the acquisition of multidimensional THz spectra when compared to conventional delay-scan methods while maintaining accurate retrieval of the nonlinear THz signal. Our report presents a feasible solution for bringing the technique of multidimensional THz spectroscopy into widespread practice.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Collective Summary of sCO2 Materials Development (Supercritical Transformational Electric Power Generation (STEP) Level 2 Milestone Report) (Parts I - II)

Polymers such as PTFE (polytetrafluorethylene or Teflon), EPDM (ethylene propylene diene monomer) rubber, FKM fluoroelastomer (Viton), Nylon 11, Nitrile butadiene (NBR) rubber, hydrogenated nitrile rubber (HNBR) and perfluoroelastomers (FF_202) are commonly employed in super critical CO 2 (sCO2) energy conversion systems. O-rings and gaskets made from these polymers face stringent performance conditions such as elevated temperatures, high pressures, pollutants, and corrosive humid environments. In FY 2019, we conducted experiments at high temperatures (100°C and 120°C) under isobaric conditions (20 MPa). Findings showed that elevated temperatures accelerated degradation of polymers in sCO2, and that certain polymer microstructures are more susceptible to degradation over others. In FY 2020, the focus was to understand the effect of sCO2 on polymers at low (10 MPa) and high pressures (40 MPa) under isothermal conditions (100°C). It was clear that the same selectivity was observed in these experiments wherein certain polymeric functionalities showed more propensity to failure over others. Fast diffusion, supported by higher pressures and long exposure times (1000 hours) at the test temperature, caused increased damage in sCO2 environments to even the most robust polymers. We also looked at polymers under compression in sCO2 at 100°C and 20 MPa pressure to imitate actual sealing performance required of these materials in sCO2 systems. Compression worsened the physical damage that resulted from chemical attack of the polymers under these test conditions. In FY 2021, the effect of cycling temperature (from 50°C to 150°C to 50°C) for polymers under a steady sCO2 pressure of 20 MPa was studied. The aim was to understand the influence of cycling temperatures of sCO2 for typical polymers under isobaric (20 MPa) conditions. Thermoplastic polymers (Nylon, and PTFE) and elastomers (EPDM, Viton, Buna N, Neoprene, FF202, and HNBR) were subjected to 20 MPa sCO2 pressure for 50 cycles and 100 cycles in separate experiments. Samples were extracted for ex-situ characterization at 50 cycles and upon the completion of 100 cycles. Each cycle constituted of 175 minutes of cycling from 50°C to 150°C. The polymer samples were examined for physical and chemical changes by Dynamic Mechanical and Thermal Analysis (DMTA), Fourier Transform Infrared (FTIR) spectroscopy, and compression set. Density and mass changes immediately after removal from test were measured for degree of swell comparisons. Optical microscopy techniques and micro computer tomography (micro CT) images were collected on select specimens. Evaluations conducted showed that exposures to super-critical CO2 environments resulted in combinations of physical and/or chemical changes. For each polymer, the dominance of cycling temperatures under sCO2 pressures, were evaluated. Attempts were made to qualitatively link the permanent sCO2 effects to polymer micro- structure, free volume, backbone substitutions, presence of polar groups, and degree of crystallinity differences. This study has established that soft polymeric materials are conducive to failure in sCO2 through mechanisms of failure that are dependent on polymer microstructure and chemistry. Polar pendant groups, large atom substitutions on the backbone are some of the factors that are influential structural factors.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High Throughput Coefficient Thermal Expansion Testing Utilizing Digital Image Correlation

Dr. Fitzgerald, a postdoc at Sandia National Laboratories, works in a materials of mechanics group characterizing material properties of ductile materials. Her presentation focuses specifically on increasing throughput of coefficient of thermal expansion (CTE) measurements with the use of optical strain measurements, called digital image correlation (DIC). Currently, the coefficient of thermal expansion is found through a time intensive process called dilatometry. There are multiple types of dilatometers. One type, a double push rod mechanical dilatometer, uses and LVDT to measure the expansion of a specimen in one direction. It uses a reference material with known properties to determine the CTE of the specimen in question. Testing about 500 samples using the double push rod mechanical dilatometer would take about 2 years if testing Monday through Friday, because the reference material needs to be at a constant temperature and heating must done slowly to ensure no thermal gradients across the rod. A second type, scissors type dilatometer, pinches a sample using a “scissor-like” appendage that also uses a LVDT to measure thermal expansion as the sample is heated. Finally, laser dilatometry, was created to provide a non-contact means to measure thermal expansion. This process greatly reduces the time required to setup a measurement but is still only able to measure one sample at a time. The time required to test 500 samples gets reduced to 3.5 weeks. Additionally, to measure expansion in different directions, multiple lasers must be used. Dr. Fitzgerald solved this conundrum by using an optical measurement technique called digital image correlation to create strain maps in multiple orientations as well as measuring multiple samples at once. Using this technique, Dr. Fitzgerald can test 500 samples, conservatively, in 2 days.

36 MATERIALS SCIENCE↗
DOE OSTI2024

FY2023 NSTTF Annual Report

The National Solar Thermal Test Facility (NSTTF) is a DOE Core Capability and Technology Deployment Center located in Albuquerque, NM. It is operated by Sandia National Laboratories (Sandia) for the U.S. Department of Energy (DOE). The NSTTF is the only multi-mission, multi-use, multi-story test facility of its type in the United States. The NSTTF was founded in 1978 and began testing with high heat flux that same year. Over the past 45 years, the NSTTF has been at the forefront of the research, design, fabrication, and testing of many of the critical Concentrating Solar Power (CSP) technologies. These technologies have allowed costs to be dramatically reduced from over $\$ $0.40 /kWh to $\$$0.12 /kWh since the conception of this renewable energy technology. The NSTTF has worked to make the Solar Energy Generating Systems (SEGS) parabolic trough plants successful, while also working with the Solar One and Solar Two facilities for successful implementation. Over the four decades since its founding, the mission of the NSTTF has grown to include new receiver technologies, like our generation 3 falling particle system (G3P3 Tower), optical metrology techniques like SOFAST, molten salt testing, thermal energy storage, solar thermal chemistry, and more. We continue to expand our capabilities in pursuit of the DOE SETO mission and the DOE SunShot 2030 goals: unsubsidized LCOE of $\$$0.05/kWh for CSP that includes 12 or more hours of thermal energy storage. To support both the DOE SETO mission and support the CSP sector as a whole, we are working to develop our operations and maintenance framework to provide a world class testing facility in support of our technological achievements. To accomplish both of these missions, the NSTTF draws on the decades of experience and expertise of our staff along with the world-class facilities at Sandia National Laboratories to further the science of concentrated solar thermal technologies in diverse applications. We remain a trusted partner for high-quality and impactful research in both fundamental and applied arenas. We are able to provide our partners with both one-of-a-kind testing platforms as well as world-class analytics.

14 SOLAR ENERGY↗
DOE OSTI2026

Roadmap to Advance Heliostat Technologies for High Temperature Solar-Thermal Systems

Since its establishment, the Heliostat Consortium (HelioCon) has made substantial progress toward closing many of the gaps in concentrating solar power (CSP) research. Numerous techno-economic studies have been performed, investigating topics ranging from the trade-off between size and temperature for industrial process heat applications to optimization of the heliostat design itself for various applications. Significant improvements have been made in optical metrology techniques, with first steps toward in situ measurement of heliostat fields. Several standards have been, and continue to be, developed with the coordination of an international group of CSP industry participants. Training programs have been developed, with universities including CSP in their engineering curricula, and many public webinars have been held to provide broad access to the latest CSP research. Improved CSP components such as mirror facets and wireless communication systems have been developed, and the solar tower at Sandia National Laboratories has been upgraded with a testbed for closed-loop controls research and development. Field deployment challenges involving heliostat foundations and sensitive wildlife habitats have been explored, with progress made toward methods for streamlining project development and permitting. Additional knowledge has been added to the body of work on wind behavior of heliostats and arrays of heliostats, with progress made toward a holistic understanding of wind design methods. Finally, techniques have been developed and demonstrated for assessing soiling conditions at a proposed project site, with predictive models for the soiling rate showing good results. Taking these results together, HelioCon has contributed greatly to the global CSP research and development effort over the past several years.

14 SOLAR ENERGY↗
DOE OSTI2025

Editorial: Applications of spectroscopy and chemometrics in nuclear materials analysis

Optical analysis techniques, including spectroscopy and image analysis, have many advantages when applied to the study of nuclear materials. They require small sample sizes, can be performed remotely, and can be proceduralized through consistent practice. Most importantly, they provide a wealth of information by generating multivariate data. For example, ultraviolet–visible–near-infrared absorbance spectroscopy of actinides in aqueous and organic solutions is dependent on the oxidation state, anionic complexation, and temperature. These variables are important for solution-based separation processes, and sensitivity to these factors, combined with online monitoring, can drive the efficiency and control of these processes. The morphology and chemical composition of actinide particles can also provide a vital clue to the mechanisms by which the particles were formed, providing forensic information on the origins of the particles.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Sensing at the Nanoscale Using Nitrogen-Vacancy Centers in Diamond: A Model for a Quantum Pressure Sensor

The sensing of stress under harsh environmental conditions with high resolution has critical importance for a range of applications including earth’s subsurface scanning, geological CO2 storage monitoring, and mineral and resource recovery. Using a first-principles density functional theory (DFT) approach combined with the theoretical modelling of the low-energy Hamiltonian, here, we investigate a novel approach to detect unprecedented levels of pressure by taking advantage of the solid-state electronic spin of nitrogen-vacancy (NV) centers in diamond. We computationally explore the effect of strain on the defect band edges and band gaps by varying the lattice parameters of a diamond supercell hosting a single NV center. A low-energy Hamiltonian is developed that includes the effect of stress on the energy level of a ±1 spin manifold at the ground state. By quantifying the energy level shift and split, we predict pressure sensing of up to 0.3 MPa/Hz using the experimentally measured spin dephasing time. We show the superiority of the quantum sensing approach over traditional optical sensing techniques by discussing our results from DFT and theoretical modelling for the frequency shift per unit pressure. Importantly, we propose a quantum manometer that could be useful to measure earth’s subsurface vibrations as well as for pressure detection and monitoring in high-temperature superconductivity studies and in material sciences. Our results open avenues for the development of a sensing technology with high sensitivity and resolution under extreme pressure limits that potentially has a wider applicability than the existing pressure sensing technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Remote Detection of Uranium Using Self-Focusing Intense Femtosecond Laser Pulses

Optical measurement techniques can address certain important challenges associated with nuclear safety and security. Detection of uranium over long distances presents one such challenge that is difficult to realize with traditional ionizing radiation detection, but may benefit from the use of techniques based on intense femtosecond laser pulses. When a high-power laser pulse propagates in air, it experiences collapse and confinement into filaments over an extended distance even without external focusing. In our experiments, we varied the initial pulse chirp to optimize the emission signal from the laser-produced uranium plasma at an extended distance. While the ablation efficiency of filaments formed by self-focusing is known to be significantly lower when compared to filaments produced by external focusing, we show that filaments formed by self-focusing can still generate luminous spectroscopic signatures of uranium detectable within seconds over a 10-m range. The intensity of uranium emission varies periodically with laser chirp, which is attributed to the interplay among self-focusing, defocusing, and multi-filament fragmentation along the beam propagation axis. Grouping of multi-filaments incident on target is found to be correlated with the uranium emission intensity. The results show promise towards long-range detection, advancing the diagnostics and analytical capabilities in ultrafast laser-based spectroscopy of high-Z elements.

42 ENGINEERING↗
DOE OSTI2021

Reflective laser-based particle detector

A reflective laser-based particle detector for detecting contamination particles moving through a vacuum. Laser light is directed through a vacuum access window in the containment vessel and toward a reflective surface on an inner surface opposite the window. A photonic detector is positioned to monitor reflected laser from the opposite inner surface inside the vessel and is capable of detecting perturbations of the reflected light. The system makes use of optical interferometry techniques embodied as a photonic integrated circuit to detect the particles. The reflective laser-based system can be placed entirely outside the vacuum thereby avoiding the need for breaking the vacuum environment to check for accumulation of contaminant particles.

Xi, Wenze↗
DOE OSTI2024

Nitrogen Vacancy Centers in Diamond for Stress Sensing Applications: Theory and Experiments

Sensing of stress under high elevated environmental conditions with high resolution has critical importance for range of applications including earth’s subsurface scanning and geological CO2 storage monitoring. Using first principles density functional theory (DFT) approach combined with the theoretical modelling of low energy Hamiltonian, here we investigate a novel approach to detect unprecedented level of pressure by taking advantage of solid-state electron’s spin of Nitrogen vacancy (NV) centers in nanodiamond. We computationally explore the effect of strain on the defect band edges and band gaps by varying the lattice parameters of diamond supercell hosting a single NV center. A low energy Hamiltonian is developed that includes effect of stress on the energy level of ±1 spin manifold at the ground state. By quantifying the energy level shift and split, we predict the pressure sensing of up to 0.3 MPa/√Hz. We show superiority of the quantum sensing over traditional optical sensing techniques by discussing our results from DFT and theoretical modelling for the frequency shift per unit pressure. The proposed quantum stress sensing could be useful to measure earth’s subsurface vibrations. Our results open avenues for development of sensing technology with a high sensitivity and resolution under extreme pressure conditions that potentially has a wider applicability than existing pressure sensing technologies.

Paudel, Hari P.↗
DOE OSTI2025

Towards the development of resonantly enhanced laser-based diagnostics for molten salt reactor safeguards

The adoption of Generation IV molten salt reactors (MSRs) depends on the ability to implement compatible monitoring instrumentation to ensure adherence to nuclear safeguards. This task is nontrivial due to the high temperature, reactive, and chemically complex fuel and coolant components contained within these systems. Optical spectroscopy techniques such as laser-induced fluorescence (LIF) and laser-induced breakdown spectroscopy (LIBS) are candidates for monitoring instrumentation. They offer many advantages for continuous monitoring, including the ability to operate at a standoff and compatibility with liquid-phase analytes. We discuss the use of LIF for the detection of Nd, a common fission fragment, within a liquid matrix. Results show that for NdCl3 dissolved in water, the Nd I 492.45 nm resonant transition is detectable without the need to induce a plasma and that the fluorescence emission can be separated in the time domain from the laser scatter signal. Additionally, we present a setup and preliminary results for measurements of solid Nd and U using resonant LIBS. The results demonstrate element-selective measurement capabilities and provide the foundational data necessary to continue the development of laser-based MSR diagnostics. This work also helps address gaps in the literature regarding energy level assignments of Nd.

98 - NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL↗
DOE OSTI2020

Optical super-resolution microscopy in polymer science

The advent of optical super-resolution microscopy (OSRM) over two decades ago has transformed light-mediated interrogation of systems down to the nanoscale. This innovative set of approaches to optics breaks the so-called diffraction limit of light (~200 nm), allowing for the first time to use optics in the far field to visualize behavior on nanoscopic length scales. While these visualization tools have rapidly found widespread use in biology and related fields, their implementation in materials and, more specifically, in polymer science has been far slower. To overcome possible barriers and highlight possible future directions, we present in this paper an introduction to OSRM for polymer scientists, beginning with an overview of relevant techniques and existing optical probes. We then show and examine the first examples of OSRM adaptation across major areas of polymer science, including: polymerization and structural characterization, self-assembly and solution behavior, bulk structure and behavior, crystallization, gel structure and behavior, phase transitions, and biofunctionality. We hope and anticipate that the discussions provided in this review will draw the attention of the polymer community to the capacities of these hitherto underexplored optical visualization techniques to further transform polymer science.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Magnetic field driven emergent phenomena: Insights from magneto-optics and nanoscopy

This review explores magnetic field-driven emergent phenomena across various material systems, emphasizing the pivotal roles of magneto-optical and nanoscopy techniques. We examine fundamental aspects of Landau electrodynamics in both 2D and 3D systems, including quantum Hall and topological magnetoelectric effects in graphene and topological insulators. Particularly attention is given to magnetic excitations and magnetopolaritons, such as surface magnon polaritons, magnetoplasmons, and magnetoexcitons in novel quantum materials, including quantum magnets and hybrid heterostructures. Advanced imaging techniques, such as scattering-type scanning near-field optical microscopy (SNOM) and microwave impedance microscopy, are showcased for their capability to resolve these phenomena with microscopic and nanoscopic resolution. These insights are complemented by discussions of advanced experimental approaches, including cryogenic environments, ultrafast pump-probe techniques, and the integration of magnetic fields into near-field optical methodologies. We further investigate the potential of these imaging techniques for unraveling complex magnetic orders, quantum phases, and correlated electronic behaviors. Finally, we offer perspectives on future research directions and highlight emerging opportunities in the evolving field of optical magneto-nanoscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Ray-tracing image simulations of transparent objects with complex shape and inhomogeneous refractive index

Optical images of transparent three-dimensional objects can be different from a replica of the object’s cross section in the image plane, due to refraction at the surface or in the body of the object. Simulations of the object’s image are thus needed for the visualization and validation of physical models. We report ray tracing image simulations that achieved high physical fidelity, reproducing optical behaviors and image features not rendered in previous studies. We replicated brightfield microscopy images of drops with complex shapes, and images of pressure and shock waves traveling inside them. For high physical fidelity, the simulations must replicate the spatial and angular distribution of illumination rays, and both the experiment and the simulation must be designed for accurate optical modeling. The simulations are highly sensitive to the properties of the drops and can be used to diagnose and refine fluid dynamics models. The simulated images can also be optimized to extract multiple 3D properties from experimental images. Compared to specialized single-shot 3D imaging methods, this approach has the advantage that it preserves the experimental simplicity, the high resolution, and the visual interpretability characteristic to basic optical imaging. The techniques introduced here are directly applicable to optical microscopy, so they can be used in other fields, such as microfluidics and biology, to expand the type and the accuracy of three-dimensional information that can be extracted from basic optical images.

Cavitation↗