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At least 73 records · Page 4

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DOE OSTI2021

Selective Enhancement of Spectroscopic Features by Quantum Optimal Control

Tailored light can be used to steer atomic motions into selected quantum pathways. In optimal control theory (OCT), the target is usually expressed in terms of the molecular wave function, a quantity that is not directly observable in experiment. In this study, we present simulations using OCT that optimize the spectroscopic signal itself. By shaping the optical pump, the x-ray stimulated Raman signal, which occurs solely during the passage through conical intersections, is temporally controlled and amplified by up to 2 orders of magnitude. This enhancement can be crucial in order to bring small coherence-based signatures above the detectable threshold. Our approach is applicable to any signal that depends on the expectation value of a positive definite operator.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2023

Optimal Traffic Signal Control Using Priority Metric Based on Real-Time Measured Traffic Information

Optimizing traffic control systems at traffic intersections can reduce network-wide fuel consumption as well as improve traffic flow. While traffic signals have conventionally been controlled based on predetermined schedules, various adaptive control systems have been developed recently using advanced sensors such as cameras, radars, and LiDARs. By utilizing rich traffic information enabled by the advanced sensors, more efficient or optimal traffic signal control is possible in response to varying traffic conditions. This paper proposes an optimal traffic signal control method to minimize network-wide fuel consumption utilizing real-time traffic information provided by advanced sensors. This new method employs a priority metric calculated by a weighted sum of various factors, including the total number of vehicles, total vehicle speed, vehicle waiting time, and road preference. Genetic Algorithm (GA) is used as a global optimization method to determine the optimal weights in the priority metric. In order to evaluate the effectiveness of the proposed method, a traffic simulation model is developed in a high-fidelity traffic simulation environment called SUMO, based on a real-world traffic network. The traffic flow within this model is simulated using actual measured traffic data from the traffic network, enabling a comprehensive assessment of the novel optimal traffic signal control method in realistic conditions. The simulation results show that the proposed priority metric-based real-time traffic signal control algorithm can significantly reduce network-wide fuel consumption compared to the conventional fixed-time control and coordinated actuated control methods that are currently used in the modeled network. Additionally, incorporating truck priority in the priority metric leads to further improvements in fuel consumption reduction.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Network-Wide Traffic Signal Control Using Bilinear System Modeling and Adaptive Optimization

This study proposes a new multi-input multi-output optimal bilinear signal control method in which a bilinear dynamic model approximation is used to capture the nonlinear dynamics of the urban traffic networks. With signal green time splits as the control input and traffic delay changes as the output for each intersections in the network, a bilinear system model was developed, which, on the basis of linear system modeling, takes interactions among traffic delays and signal timing splits into consideration. Based on the bilinear system modeling framework, we conducted two steps in each time interval to derive traffic control strategies: (1) we used the normalized least-squared algorithm to estimate system parameters; and (2) we solved an online optimization problem to obtain the updated traffic control inputs for the signal timing that minimizes future traffic delays. We evaluated the proposed method in a microscopic traffic simulation environment (VISSIM) with a 35-intersection network of Bellevue city in Washington. Two different traffic demand patterns: (1) normal traffic demands; and (2) time-varying traffic demands were simulated to compare the performance of different control strategies. Experimental results show that (1) the proposed bilinear system model can better describe traffic system dynamics than linear-model based methods, such as our previously developed linear-quadratic regulator control; and (2) the proposed method outperforms the state-of-the-art signal control strategies, namely the max-pressure and the self-organizing traffic light control methods. We have also shown that the proposed method is applicable to all other possible network layouts and signal controller phasing structures.

42 ENGINEERING↗

DOE OSTI2022

Electronic coherences in nonadiabatic molecular photophysics revealed by time-resolved photoelectron spectroscopy

Significance Time-resolved photoelectron spectroscopy (TRPES) is a promising technique for the study of ultrafast molecular processes, such as the nonadiabatic dynamics taking place at conical intersections. Directly accessing the evolution of the coherences generated at the conical intersection should provide most valuable dynamical information. However, the signals are dominated by background contributions due to state populations, and most theoretical treatments completely neglect the role of the coherences. Here we show that distinguishable signatures of molecular coherences appear in TRPES. These can be recorded using currently available ultrashort pulses and unambiguously extracted at the postprocessing stage. The technique thus provides direct access to nonadiabatic coherence dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Photoisomerization transition state manipulation by entangled two-photon absorption

Significance Entangled two-photon absorption has attracted considerable interest due to its potential applications for low–photon flux spectroscopy and microscopy. The entanglement parameters in the twin-photon state can be exploited to control two-photon excitation processes. Here we demonstrate that photon entanglement provides a powerful novel control knob for the nuclear wave packets in an optically dark electronic state. We show that the transition states in the trans–cis photoisomerization of azobenzene, initiated by an entangled two-photon absorption process, can be manipulated significantly by entangled light. These effects can be monitored experimentally by coherent stimulated X-ray Raman signals which reveal electronic coherences during the passage through conical intersections.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Direct Monitoring of Conical Intersection Passage via Electronic Coherences in Twisted X-Ray Diffraction

Quantum coherences in electronic motions play a critical role in determining the pathways and outcomes of virtually all photophysical and photochemical molecular processes. However, the direct observation of electronic coherences in the vicinity of conical intersections remains a formidable challenge. Here we propose a novel time-resolved twisted x-ray diffraction technique that can directly monitor the electronic coherences created as the molecule passes through a conical intersection. We show that the contribution of electronic populations to this signal is canceled out when using twisted x-ray beams that carry a light orbital angular momentum, providing a direct measurement of transient electronic coherences in gas-phase molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

An analysis of gamma-ray data collected at traffic intersections in Northern Virginia

Gamma-ray spectral data were collected from sensors mounted to traffic signals around Northern Virginia. The data were collected over a span of approximately fifteen months. A subset of the data were analyzed manually and subsequently used to train machine-learning models to facilitate the evaluation of the remaining 50k anomalous events identified in the dataset. We describe the analysis approach used here and discuss the results in terms of radioisotope classes and frequency patterns over day-of-week and time-of-day spans. Data from this work has been archived and is available for future and ongoing research applications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Integrating vehicle trajectory planning and arterial traffic management to facilitate eco-approach and departure deployment

Eco-approach and departure (EAD) enable continuous vehicle motion in urban signalized corridors. Since such a motion can extend to the EAD vehicles’ followers, it makes EAD a promising technology to benefit the traffic flow where automated vehicles and conventional vehicles coexist. Most existing EAD studies envision an ideal setting that neglects real-world operational conditions such as lane changes, multi-movement intersection configuration, partially automated fleet, and/or limited traffic state awareness. This study aims to fill the gap by designing an EAD algorithm considering real-world traffic operation constraints. The proposed algorithm uses a model predictive controller to minimize vehicle speed reduction and variation based on the real-time traffic signal control plan and measured queues at the intersection. The required inputs are readily available at many modern intersections. We observed that the proposed controller’s performance might degrade because of lane-changing maneuvers and lead-left turn traffic signals. These observations motivated our development of a lane change management strategy and a signal control implementation strategy to facilitate the EAD implementation. The lane change management strategies separate the EAD operations and lane-changing maneuvers in time and space. The signal control implementation strategy applies lag-left turn signals to enable EAD operation for both the through and left-turn vehicles. Compared to the non-EAD case, our EAD approach produces 2.5% to 7.8% energy savings while keeping similar intersection mobility. Notably, this approach brings about 2.5% to 3.6% energy savings in a 2% CAV case. This result demonstrates the feasibility of deploying EAD at low connected automated vehicle penetration rates.

Arterial corridor management↗

DOE OSTI2023

Vehicle Localization in 3D World Coordinates Using Single Camera at Traffic Intersection

Optimizing traffic control systems at traffic intersections can reduce the network-wide fuel consumption, as well as emissions of conventional fuel-powered vehicles. While traffic signals have been controlled based on predetermined schedules, various adaptive signal control systems have recently been developed using advanced sensors such as cameras, radars, and LiDARs. Among these sensors, cameras can provide a cost-effective way to determine the number, location, type, and speed of the vehicles for better-informed decision-making at traffic intersections. In this research, a new approach for accurately determining vehicle locations near traffic intersections using a single camera is presented. For that purpose, a well-known object detection algorithm called YOLO is used to determine vehicle locations in video images captured by a traffic camera. YOLO draws a bounding box around each detected vehicle, and the vehicle location in the image coordinates is converted to the world coordinates using camera calibration data. During this process, a significant error between the center of a vehicle’s bounding box and the real center of the vehicle in the world coordinates is generated due to the angled view of the vehicles by a camera installed on a traffic light pole. As a means of mitigating this vehicle localization error, two different types of regression models are trained and applied to the centers of the bounding boxes of the camera-detected vehicles. The accuracy of the proposed approach is validated using both static camera images and live-streamed traffic video. Based on the improved vehicle localization, it is expected that more accurate traffic signal control can be made to improve the overall network-wide energy efficiency and traffic flow at traffic intersections.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Discovering hydrothermalism from Afar: In Situ methane instrumentation and change-point detection for decision-making

Seafloor hydrothermalism plays a critical role in fundamental interactions between geochemical and biological processes in the deep ocean. A significant number of hydrothermal vents are hypothesized to exist, but many of these remain undiscovered due in part to the difficulty of detecting hydrothermalism using standard sensors on rosettes towed in the water column or robotic platforms performing surveys. Here, we use in situ methane sensors to complement standard sensing technology for hydrothermalism discovery and compare sensors on a towed rosette and an autonomous underwater vehicle (AUV) during a 17 km long transect in the Northern Guaymas Basin in the Gulf of California. This transect spatially intersected with a known hydrothermally active venting site. These data show that methane signalled possible hydrothermal-activity 1.5–3 km laterally (100–150 m vertically) from a known vent. Methane as a signal for hydrothermalism performed similarly to standard turbidity sensors (plume detection 2.2–3.3 km from reference source), and more sensitively and clearly than temperature, salinity, and oxygen instruments which readily respond to physical mixing in background seawater. We additionally introduce change-point detection algorithms—streaming cross-correlation and regime identification—as a means of real-time hydrothermalism discovery and discuss related data supervision technologies that could be used in planning, executing, and monitoring explorative surveys for hydrothermalism.

58 GEOSCIENCES↗

DOE OSTI2021

Imaging conical intersection dynamics during azobenzene photoisomerization by ultrafast X-ray diffraction

Significance Vibronic coherences are unique features that emerge in the decisive moments of photochemistry and photophysics. Here we demonstrate how X-ray diffraction can access fundamental information about these coherences. This is enabled by recent developments at free-electron lasers, working toward temporal resolution and single-molecule accessibility of scattering-based measurements. Time-resolved diffraction patterns of the isomerization of azobenzene are simulated. The process is monitored in time via the momentum-space signal, with a special focus on the mixed elastic/inelastic scattering from coherences. We give practical ideas on how this relatively weak contribution to the signal can potentially be retrieved. A direct connection to the real-space movie of the conical intersection dynamics is made, enabling the observation of quantum coherences that direct chemical processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Installation of a solid state neutral particle analyzer array on mega ampere spherical tokamak upgrade

A compact solid state neutral particle analyzer (SSNPA) diagnostic, previously installed at NSTX-U, has been moved to MAST-U and successfully operated in the first physics campaign (MU01). The SSNPA operates by detecting the flux of fast neutral particles produced by charge exchange (CX) reactions to diagnose the fast ion distribution. The diagnostic consists of three 16-channel sensors, which provide a radial view of the plasma and have a sightline intersection with the South–South neutral beam line. From this radial geometry, active CX signals from mostly trapped particles are observed. Each channel has a spatial resolution of 3–4 cm, a temporal resolution of 200 kHz, and an average pitch angle resolution of a few degrees. The three-sensor configuration allows for coarse energy resolution of the CX signals; each sensor sees similar sightlines but different filter thicknesses alter the energy cutoffs by known amounts. Experimental data show that all channels are collecting data as intended. The signal to noise ratio is typically around 15. Preliminary data analysis shows a correlation between the SSNPA signal and magnetohydrodynamic activity in the plasma as expected.

Instruments & Instrumentation↗

DOE OSTI2024

Using a multistate mapping approach to surface hopping to predict the ultrafast electron diffraction signal of gas-phase cyclobutanone

Using the recently developed multistate mapping approach to surface hopping (multistate MASH) method combined with SA(3)-CASSCF(12,12)/aug-cc-pVDZ electronic structure calculations, the gas-phase isotropic ultrafast electron diffraction (UED) of cyclobutanone is predicted and analyzed. After excitation into the n-3s Rydberg state (S2), cyclobutanone can relax through two S2/S1 conical intersections, one characterized by compression of the CO bond and the other by dissociation of the α–CC bond. Subsequent transfer into the ground state (S0) is then achieved via two additional S1/S0 conical intersections that lead to three reaction pathways: α ring-opening, ethene/ketene production, and CO liberation. The isotropic gas-phase UED signal is predicted from the multistate MASH simulations, allowing for a direct comparison to the experimental data. This work, which is a contribution to the cyclobutanone prediction challenge, facilitates the identification of the main photoproducts in the UED signal and thereby emphasizes the importance of dynamics simulations for the interpretation of ultrafast experiments.

Chemistry↗

DOE OSTI2025

Enhanced Lighting Signals for Safety and Efficiency - Experiments With Addressable LEDs

For enhanced roadway safety, clear and immediate visual cues are essential for preventing accidents between drivers and pedestrians. At intersections, however, the line of sight to other roadway users may be obstructed by vehicles and infrastructure. Additionally, adverse conditions, including low visibility, poor weather, or inadequate lighting can increase the potential for collisions. Distracted drivers and pedestrians can further exacerbate the risk of accidents, particularly when using a smartphone, rather than focusing on roadway surroundings. These issues demonstrate the need for infrastructure upgrades that enhance visibility and awareness at crosswalks. A potential solution is through enhanced lighting signals integrated into the roadway infrastructure. One such example is the use of addressable LEDs, individually controllable lights that can change color and brightness instantaneously through programmable microcontrollers. They can be installed and integrated into crosswalks to maintain visibility in conditions where pedestrians may be difficult to see, while also offering peripheral cues to pedestrians who may be distracted by their phones or other objects rather than the road. Such a system (as one example) that is integrated into a traffic intersection digital twin that tracks all roadway users accurately, has the potential to enhance visibility of vulnerable road users, and thus enhance safety. This paper examines the potential implementation and feasibility of this technology, as well as the safety benefits it could provide. Laboratory experiments with addressable LEDs reveal the capabilities and challenges of this technology for roadway infrastructure safety. These findings could pave the way for more integrated lighting in infrastructure for vehicles and pedestrians at intersections, merge and diverge locations, and other areas where complex interactions present safety hazards. Such lighting solutions, enabled by modern computation and communications, could enhance safety and efficiency in our transportation system and improve overall mobility.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

Enhanced Lighting Signals for Safety and Efficiency - Experiments with Addressable LEDs

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Creation of a Mixed-Mode Fracture Network at Mesoscale Through Hydraulic Fracturing and Shear Stimulation

Enhanced Geothermal Systems could provide a substantial contribution to the global energy demand if their implementation could overcome inherent challenges. Examples are insufficient created permeability, early thermal breakthrough, and unacceptable induced seismicity. In this study we report on the seismic response of a mesoscale hydraulic fracturing experiment performed at 1.5-km depth at the Sanford Underground Research Facility. We have measured the seismic activity by utilizing a 100-kHz, continuous seismic monitoring system deployed in six 60-m length monitoring boreholes surrounding the experimental domain in 3-D. The achieved location uncertainty was on the order of 1 m and limited by the signal-to-noise ratio of detected events. These uncertainties were corroborated by detections of fracture intersections at the monitoring boreholes. Three intervals of the dedicated injection borehole were hydraulically stimulated by water injection at pressures up to 33 MPa and flow rates up to 5 L/min. We located 1,933 seismic events during several injection periods. The recorded seismicity delineates a complex fracture network comprised of multistrand hydraulic fractures and shear-reactivated, preexisting planes of weakness that grew unilaterally from the point of initiation. We find that heterogeneity of stress dictates the seismic outcome of hydraulic stimulations, even when relying on theoretically well-behaved hydraulic fractures. Once hydraulic fractures intersected boreholes, the boreholes acted as a pressure relief and fracture propagation ceased. In order to create an efficient subsurface heat exchanger, production boreholes should not be drilled before the end of hydraulic stimulations.

58 GEOSCIENCES↗

DOE OSTI2025

Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination

High-energy electrons induce sample damage and motion at the nanoscale to fundamentally limit the determination of molecular structures by electron diffraction. Using a fast event-based electron counting (EBEC) detector, we characterize beam-induced, dynamic, molecular crystal lattice reorientations (BIRs). These changes are sufficiently large to bring reciprocal lattice points entirely in or out of intersection with the sphere of reflection, occur as early events in the decay of diffracted signal due to radiolytic damage, and coincide with beam-induced migrations of crystal bend contours within the same fluence regime and at the same illuminated location on a crystal. These effects are observed in crystals of biotin, a series of amino acid metal chelates, and a six-residue peptide, suggesting that incident electrons inevitably warp molecular lattices. The precise orientation changes experienced by a given microcrystal are unpredictable but are measurable by indexing individual diffraction patterns during beam-induced decay. Reorientations can often tilt a crystal lattice several degrees away from its initial position before irradiation, and for an especially beam-sensitive Zn(II)-methionine chelate, are associated with dramatic crystal quakes prior to 1 e − Å −2 electron beam fluence accumulates. Since BIR coincides with the early stages of beam-induced damage, it echoes the beam-induced motion observed in single-particle cryoEM. As with motion correction for cryoEM imaging experiments, accounting for BIR-induced errors during data processing could improve the accuracy of MicroED data.

Vlahakis, Niko (ORCID:0000000250920265)↗

DOE OSTI2024

Enabling Ultralow Volume Analysis with a High-Resolution Ion Mobility Mass Spectrometry Platform

Of all the molecules thought to exist in the universe, it is estimated that researchers only know the chemical structures of 5% of them. Identifying the chemical structures of the remaining 95% has proven extremely challenging because many molecules exhibit low abundance, are contained in small volumes (e.g., <10 nL), do not readily ionize, exhibit similar structures to other molecules, etc. No single analytical technique exists to definitively identify the structure of an unknown molecule, and thus multiple different molecular measurements are typically made (i.e., multi-modal approach). Ion mobility (IMS) and mass spectrometry (MS) are two key tools that researchers use to determine the chemical structures of unknown molecules, and recently high-resolution and ultrahigh resolution IMS-MS instruments have provided greater confidence than ever before. However, HR-IMS-MS instruments typically exhibit low ion utilization efficiency, meaning they require large amounts of sample for an analysis (e.g., >10 µL). Unfortunately, this limitation prohibits the analysis of small volume samples where many unknown molecules exist. Described herein are the efforts made to enable the analysis of ultralow volumes with an HR-IMS-MS platform. A new scanning technique, termed a ‘stuttered traveling wave scan’, was developed as a replacement for the dual-gated scanning technique and works by halting the traveling waves after allowing ions to separate and then repeatedly restarting and stopping the traveling waves to incrementally move ions from the SLIM to the Orbitrap. Ions were stored inside the SLIM while the TWs were stopped, allowing the Orbitrap to perform high-resolution mass analysis. When the Orbitrap was ready, the TWs were restarted for short periods of time (<10 ms) to move ions from the SLIM to the Orbitrap. It was discovered that lower TW amplitudes and speeds than used during IMS separation were required to produce IMS peaks with the highest signal intensities and best resolving powers. The stuttered TW scan was found to produce similar resolutions and signal intensities compared to the dual-gated scanning technique. A new IMS design possessing an intersecting ‘tee’ with a reversible traveling wave was also developed to improve ion utilization efficiency during cyclic operation, which is necessary when only a single IMS spectrum can be acquired, such as when analyzing ultralow volume samples. The new capabilities described in this report lay the groundwork for acquiring HR-IMS-MS spectra of ultralow volume biological samples, such as single cells, where HR-IMS-MS can help elucidate the structures of unknown compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗