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DOE OSTI2023

Strong magnetic exchange coupling in Ln 2 metallocenes attained by the trans -coordination of a tetrazinyl radical ligand

A combination of high-performing lanthanide metallocenes and tetrazine-based radical ligands leads to a new series of radical-bridged dinuclear lanthanide metallocenes; [(Cp* 2 Ln III ) 2 (bpytz˙ - )][BPh 4 ] (where Ln = Gd (1), Tb (2), Dy (3) and Y (4); Cp* = pentamethylcyclopentadienyl; bpytz = 3,6-bis(3,5-dimethyl-pyrazolyl)-1,2,4,5-tetrazine). The formation of the radical species is achieved via a controlled, stepwise synthesis and verified in all complexes by X-ray crystallography and SQUID magnetometry, as well as EPR spectroscopy of 4. Through the judicious choice of the Cp* ancillary ligands and by taking advantage of the steric effects imposed by their bulkiness, we were able to promote the trans coordination mode of the bpytz˙ - radical anion that enables stronger magnetic exchange coupling compared to the cis fashion. This yields a J Gd–rad = -14.0 cm -1 in 1, which is the strongest exchange coupling observed in organic monoanionic radical-bridged lanthanide metallocene systems. The strong Ln-rad exchange coupling was further confirmed by high-frequency EPR (HF-EPR) spectroscopy and broken-symmetry (BS) density functional theory (DFT) calculations. Further, this combined with the highly anisotropic nature of Tb III and Dy III ions in 2 and 3, respectively, leads to strong SMM behavior and slow relaxation of the magnetization at zero fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Crystallography of Reactive Intermediates

Metal–ligand (M–L) multiply bonded complexes hold a central place in inorganic chemistry and catalysis: From fundamental and historical perspectives, these species have played a critical role in the articulation of important bonding principles (i.e. the vanadyl ion in the development of molecular orbital theory); from a practical perspective, these species are critical intermediates in a variety of chemical reactions (i.e. N 2 and O 2 reduction, H 2 O oxidation, and C–H functionalization). For many high-valent, early metal complexes, overlap of ligand-based electrons with vacant π-symmetry orbitals leads to strong M–L multiple bonds. The stability of these species enables straightforward characterization with a suite of standard spectroscopic and diffraction-based experiments. Mid- and late-transition metal complexes, with attendant higher d-electron counts, often support more reactive M–L multiply bonded fragments. The reactivity of these species simultaneously renders them attractive intermediates for catalysis but challenging synthetic targets to observe and characterize. A number of important strategies have been advanced to enable experimental characterization of mid- to late-metal–ligand multiply bonded species. Synthetic manipulation of the coordination geometry and ligand donicity, as well as introduction of sterically encumbering ligands, have each emerged as powerful methods to tame the inherent reactivity of kinetically labile M–L multiple bonds. While these efforts have resulted in families of well-characterized complexes and provided critical insights regarding structure and bonding, the synthetic derivatization required to stabilize M–L fragments of interest often obviates the substrate functionalization activity relevant to catalysis. Photochemical synthesis of reactive species provides a conceptually attractive strategy to generate reactive M–L fragments under conditions compatible with time-resolved or cryogenic steady-state characterization, and photogeneration has enabled observation of a number of reactive M–L fragments. The suite of tools available to characterize photogenerated reactive species is often more limited than typical for kinetically stabilized complexes and structural characterization is typically not possible. Recently, photocrystallographic experiments, in which reactive M–L multiply bonded intermediates are generated within single-crystal matrices, have been advanced as a strategy to interrogate the structures of reactive intermediates in C–H functionalization. Lastly, this Comment describes the historical antecedents to these experiments, highlights examples of photocrystallographic characterization of reactive intermediates, and discusses future opportunities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Tale of Three Molecular Nitrides: Mononuclear Vanadium (V) and (IV) Nitrides As Well As a Mixed-Valence Trivanadium Nitride Having a V 3 N 4 Double-Diamond Core

Here, transmetallation of [VCl 3 (THF) 3 ] and [TlTp tBu,Me ] afforded [(Tp tBu,Me )VCl 2 ] (1, Tp tBu,Me = hydro-tris(3-tert-butyl-5-methylpyrazol-1-yl)borate), which was reduced with KC 8 to form a $C_{3v}$ symmetric V II complex, [(Tp tBu,Me )VCl] (2). Complex 1 has a high-spin ($\textit{S}$ = 1) ground state and displays rhombic high-frequency and -field electron paramagnetic resonance (HFEPR) spectra, while complex 2 has an $\textit{S}$ = 3/2 4 A 2 ground state observable by conventional EPR spectroscopy. Complex 1 reacts with NaN 3 to form the V V nitride-azide complex [(Tp tBu,Me )V≡N(N 3 )] (3). A likely V III azide intermediate en route to 3, [(Tp tBu,Me )VCl(N 3 )] (4), was isolated by reacting 1 with N 3 SiMe 3 . Complex 4 is thermally stable but reacts with NaN3 to form 3, implying a bis-azide intermediate, [(Tp tBu,Me )V(N 3 ) 2 ] (A), leading to 3. Reduction of 3 with KC 8 furnishes a trinuclear and mixed-valent nitride, [{(Tp tBu,Me )V} 2 ($μ_{4-}$VN 4 )] (5), conforming to a Robin–Day class I description. Complex 5 features a central vanadium ion supported only by bridging nitride ligands. Contrary to 1, complex 2 reacts with NaN 3 to produce an azide-bridged dimer, [{(Tp tBu,Me )V} 2 (1,3-$μ_2$-N 3 ) 2 ] (6), with two antiferromagnetically coupled high-spin V II ions. Complex 5 could be independently produced along with [($κ_2$-Tp tBu,Me ) 2 V] upon photolysis of 6 in arene solvents. The putative {V IV ≡N} intermediate, [(Tp tBu,Me )V≡N] (B), was intercepted by photolyzing 6 in a coordinating solvent, such as tetrahydrofuran (THF), yielding [(Tp tBu,Me )V≡N(THF)] (B-THF). In arene solvents, B-THF expels THF to afford 5 and [($κ_2$-Tp tBu,Me ) 2 V]. A more stable adduct (B-OPPh 3 ) was prepared by reacting B-THF with OPPh 3 . These adducts of B are the first neutral and mononuclear V IV nitride complexes to be isolated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Variable hydrazine coordination modes from reactions with dichlorotris(triphenylphosphine)ruthenium(II)

The reactivity of the prominent ruthenium(II) catalyst and precursor, RuCl 2 (PPh 3 ) 3 , was explored with hydrazine and its derivatives. The reactions produced 6-coordinate ruthenium(II) products that bond with the hydrazine moiety in bridging (NH 2 NH 2 or NH 2 NHMe), end-on (NH 2 NHMe, NH 2 NHPh, or NH 2 NMe 2 ), or side-on (NH 2 NMe 2 ) fashions. The products have been characterized by single crystal X-ray diffraction and 31 P NMR spectroscopy. With NH 2 NH 2 , the dimeric product, [RuCl 2 (PPh 3 ) 2 ] 2 ($μ$-N 2 H 4 ) 2 , was formed under all conditions used. For other hydrazines, the reaction stoichiometry governed product formation to yield either bimetallic or monomeric products. When the RuCl 2 (PPh 3 ) 3 to hydrazine derivative ratio was 1:1 or lower, bimetallic complexes were formed while a 1:2 ratio produced monomeric compounds. The exception to the latter occurs with the production of the monomeric compound, RuCl 2 (PPh 3 ) 2 ($η$ 2 -NH 2 NMe 2 ), that forms employing a 1:1 ratio. In addition to stoichiometry, steric factors and hydrogen bonding played a significant role in dictating the bonding mode of hydrazines. The bimetallic complexes were further reacted to yield the corresponding monomeric products, adopting the form RuCl 2 (PPh 3 ) 2 (L) 2 (L = NH 2 NHMe, NH 2 NHPh, or NH 2 NMe 2 ). Reactions utilizing less than a 1:2 ratio of RuCl 2 (PPh 3 ) 3 to NH 2 NMe 2 produced a mixture of products that appear to be in equilibrium. In conclusion, FT calculations were performed to gain insight into the reaction energetics and molecular stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Low-cost calculation and analysis of 2D IR spectra of model diiron trinitrosyl complexes in the NO stretch region with vibrational perturbation theory

Two-dimensional infrared spectroscopy offers unique capabilities for probing vibrational coupling in complex metal–ligand systems. In this paper, we combine two-dimensional infrared spectroscopy with vibrational perturbation theory to investigate vibrational coupling in a diiron trinitrosyl complex across three stable redox states. Although these systems are challenging for electronic structure methods, we demonstrate that key features of experimental 2D IR spectra can be accurately reproduced using reduced-dimensional anharmonic calculations with a small harmonic frequency scaling. Analysis reveals that N–O stretching modes maintain high locality across all redox states, with coupling patterns that directly reflect variations in Fe–N bond strength. Using curvilinear coordinate analysis, we demonstrate these differences result from systematic changes in cubic anharmonic force constants rather than mode delocalization. Our results establish N–O stretches as sensitive probes of metal–ligand bonding strength, expanding the toolkit for studying biologically relevant nitrosyl complexes.

Moran, Hayden A. [Texas A&M University, College St↗

DOE OSTI2024

Unraveling plant–microbe symbioses using single-cell and spatial transcriptomics

Plant-microbe symbioses require intense interaction and genetic coordination to successfully establish in specific cell types of the host and symbiont. Traditional RNA-seq methodologies lack the cellular resolution to fully capture these complexities, but single-cell and spatial transcriptomics (ST) are now allowing scientists to probe symbiotic interactions at an unprecedented level of detail. Here, we discuss the advantages that novel spatial and single-cell transcriptomic technologies provide in studying plant-microbe endosymbioses and highlight key recent studies. Finally, we consider the remaining limitations of applying these approaches to symbiosis research, which are mainly related to the simultaneous capture of both plant and microbial transcripts within the same cells.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Porous Semiconducting K–Sn–Mo–S Aerogel: Synthesis, Local Structure, and Ion-Exchange Properties

Chalcogenide-based aerogels are emerging porous semiconducting nanomaterials that appeal to applications in clean energy and the environment. Here, we report a novel gel, potassium–tin–molybdenum–sulfides (KTMS), that integrates the electrostatically bound K + ions in the covalent network of Sn–Mo–S. Its gelation requires a concurrent reduction of Mo 6+ → Mo 4+/5+ and the oxidation of S 2– → Sn – (n ≈ 1) and Sn 2+ → Sn 4+ . KTMS is an amorphous semiconductor showing quantum confinement effects on band gap energies, 2.1 → 1.4 → 0.9 eV for its wet- → aero- → xerogels. Synchrotron X-ray pair distribution function (PDF) and extended X-ray absorption fine structure (EXAFS) revealed a complex local structure of KTMS consisting of molecular Mo 2 (S 2 ) 6 and Mo 3 S(S 2 ) 6 clusters. In addition, the Sn–S coordination is related to crystalline Na4Sn3S8 and SnS2. KTMS also demonstrated the removal of the radionuclides of Cs + , Sr 2+ , and UO 2 2+ from ppm to ppb levels with distribution constants (Kd) up to ≥104 mL/g. Notably, despite the lack of atomic periodicity in the amorphous KTMS, the K+ ion is ion-exchangeable with chemically diverse Sr 2+ , Cs + , and UO 2 2+ in aqueous solutions; especially the ion-exchange properties of Sr 2+ and UO 2 2+ ≡(O=U=O) 2+ is not known to any chalcogels known to date. The sequestration of Cs + and Sr 2+ was achieved by the exchange of K + in the amorphous KTMS, and the removal of [O=U 6+ =O] 2+ synergistically involves surface sorption via -S····U 6+ =O 2 2+ covalent interactions and ion-exchange via the hard–soft Lewis acid–base paradigm. Overall, cooperative roles played by the diverse bonding motifs, surface-exposed Lewis basic frameworks, and polarizability of the (poly)sulfides make it an exceptional adsorbent for chemically diverse radioactive species. This finding will guide the design of superior sorbents for chemically distinct metal ion separation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Elucidating the coordination chemistry of the radium ion for targeted alpha therapy

The coordination chemistry of Ra 2+ is poorly defined, hampering efforts to design effective chelators for 223 Ra-based targeted alpha therapy. Here, we report the complexation thermodynamics of Ra 2+ with the biomedically-relevant chelators DOTA and macropa. Our work reveals the highest affinity chelator to date for Ra 2+ and advances our understanding of key factors underlying complex stability and selectivity for this underexplored ion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Dicopper( i ) complexes of a binucleating, dianionic, naphthyridine bis(amide) ligand

The dinucleating ligand, 1,8-naphthyridine-2,7-bis(2,6-diisopropylphenyl)carboxamide (NBDA), was synthesized by palladium-catalyzed aminocarbonylation. This ligand was treated with two equivalents of mesitylcopper(I) in the presence of [nBu4N]X (X = Cl, N3) to give the anionic complexes [nBu4N][Cu2(NBDA)(μ-Cl)] and [nBu4N][Cu2(NBDA)(μ-N3)]. Treatment of H2NBDA with mesitylcopper(I) and two equivalents of xylyl isocyanide led to the formation of a charge-neutral dicopper(I) complex, [Cu2(NBDA)(CNXyl)2], displaying two isocyanide ligands, each terminally bound to one of the copper atoms. The complexes were characterized by NMR and IR spectroscopy, as well as by single-crystal X-ray diffraction analysis. Electrochemical characterization of the complexes using cyclic voltammetry revealed a reversible ligand-based reduction between -1.65 and -2.0 V vs. Fc/Fc+. DFT calculations suggest a more ionic bonding character and weaker Cu-Cu interactions in the NBDA complexes compared to those with other 1,8-naphthyridine-based ligands. This is congruent with intermetallic separations of over 3 Å induced by relatively strong coordination of the copper atoms to the amide nitrogen donor atoms observed in the solid state molecular structures.

Sévery, Laurent↗

DOE OSTI2022

Effect of iron redox ratio on the structures of boroaluminosilicate glasses

Iron oxide is commonly found in natural or industrial glass compositions and can exist as ferrous (Fe 2+ ) or ferric (Fe 3+ ) species, with their ratios depending on glass composition, temperature, pressure and the redox reactions during the glass forming process. The iron redox ratio plays an important role on silicate glass structures and consequently various properties. This work aims to study the effect of iron oxide, and particularly the iron redox ratio, on the structures of borosilicate and boroaluminosilicate glasses using molecular dynamics simulations with newly developed iron potential parameters that are compatible with the borosilicate potentials. The results provide detailed cation coordination states of both iron species and the effect of redox ratio on boron coordination and other structural features. Particularly, competition for charge compensating modifier cations (such as Na + ) among the fourfold-coordinated cations such as B 3+ , Al 3+ , and Fe 3+ is investigated by calculating the cation–cation pair distribution functions and coordination preferential ratios. The results show that the trivalent ferric ions, with a shorter Fe–O bond distance and better defined first coordiation shell with mainly four-fold coordination, act as a glass former whereas the divalent ferrous ions mainly play the role of glass modifier. The ferrous/ferric ratio (Fe 2+ /Fe 3+ ) was found to affect the glass chemistry and hence glass properties by regulating the amount of four-coordinated boron, the fraction of non-briding oxygen and other features. Finally, the results are compared with available experimental data to gain insights of the complex structures and charge compensation schemes of the glass system.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Experimental and Computational Analysis of NEAMS Pebble Bed Reactors

The Advanced High-Temperature Pebble Bed Reactor concept leverages a particle-based fuel format consisting of discrete spherical graphite pebbles arrayed in a packed bed architecture. Thermal regulation achieved via flow of gas (e.g., helium) or liquid (e.g., molten salt) coolants through the void spaces between pebbles in the bed (characteristic pebble diameters: ~ 6 cm, gas cooled; ~ 3 cm, liquid cooled). This design is of interest owing to inherent advantages including passive safety features and highly efficient heat transfer characteristics that enable high power densities to be achieved. Fully leveraging these advantages requires a fundamental understanding of the complex coolant flow structure within the pebble-shaped fuel bed. Unfortunately, complexities associated with non-invasively probing the micro-scale flow phenomena within the complex network of void spaces between pebbles have hindered efforts to characterize the underlying transport phenomena. Without this fundamental foundation, it becomes challenging to rationally construct macroscopic transport models based upon volume averages of micro-scale parameters that accurately capture the observed flow behavior. Consequently, this lack of fundamental knowledge has limited previous work to coarse comparisons between theory and extremely limited experimental data. Moreover, these comparisons have been made only in terms of integral or macroscopic results. Therefore, multipoint measurements with a high level of spatial and temporal resolution are critically needed to fully map the complex flow patterns and to provide data at high spatial density to permit accurate volume averaging in the pebble bed. For this project, we performed a coordinated experimental and computational effort to quantitatively map the full-field velocity and temperature fields in the interstitial spaces within the pebble bed. The major accomplishments of this project included the important knowledge acquired for the flow mixing and heat transfer in the interstitial pore scales, the effects of flow mixing in the near-wall and far-wall regions, and the by-pass flows of pebble bed systems. The produced high-resolution experimental data (not broadly available in existing literature) were then used for the numerical studies enabling the refinement and validation of standard simulation tools (Nek5000).

42 ENGINEERING↗

DOE OSTI2024

Limitations for Quantum Algorithms to Solve Turbulent and Chaotic Systems

We investigate the limitations of quantum computers for solving nonlinear dynamical systems. In particular, we tighten the worst-case bounds of the quantum Carleman linearisation (QCL) algorithm answering one of their open questions. We provide a further significant limitation for any quantum algorithm that aims to output a quantum state that approximates the normalized solution vector. Given a natural choice of coordinates for a dynamical system with one or more positive Lyapunov exponents and solutions that grow sub-exponentially, we prove that any such algorithm has complexity scaling at least exponentially in the integration time. As such, an efficient quantum algorithm for simulating chaotic systems or regimes is likely not possible.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1992

Distributed project scheduling at NASA: Requirements for manual protocols and computer-based support

The increasing complexity of space operations and the inclusion of interorganizational and international groups in the planning and control of space missions lead to requirements for greater communication, coordination, and cooperation among mission schedulers. These schedulers must jointly allocate scarce shared resources among the various operational and mission oriented activities while adhering to all constraints. This scheduling environment is complicated by such factors as the presence of varying perspectives and conflicting objectives among the schedulers, the need for different schedulers to work in parallel, and limited communication among schedulers. Smooth interaction among schedulers requires the use of protocols that govern such issues as resource sharing, authority to update the schedule, and communication of updates. This paper addresses the development and characteristics of such protocols and their use in a distributed scheduling environment that incorporates computer-aided scheduling tools. An example problem is drawn from the domain of Space Shuttle mission planning.

Richards, Stephen F.↗

NASA NTRS1993

Protocols for distributive scheduling

Richards, Stephen F.↗

NASA NTRS1994

The SILEX experiment system operations

The European Space Agency is going to conduct an inter orbit link experiment which will connect a low Earth orbiting satellite and a Geostationary satellite via optical terminals. This experiment has been called SILEX (Semiconductor Inter satellite Link EXperiment). Two payloads will be built. One called PASTEL (PASsager de TELecommunication) will be embarked on the French Earth observation satellite SPOT4. The future European experimental data relay satellite ARTEMIS (Advanced Relay and TEchnology MISsion) will carry the OPALE terminal (Optical PAyload Experiment). The principal characteristic of the mission is a 50 Megabits flow of data transmitted via the optical satellite link. The relay satellite will route the data via its feeder link thus permitting a real time reception in the European region of images taken by the observation satellite. The PASTEL terminal has been designed to cover up to 9 communication sessions per day with an average of 5. The number of daily contact opportunities with the low earth orbiting satellite will be increased and the duration will be much longer than the traditional passes over a ground station. The terminals have an autonomy of 24 hours with respect to ground control. Each terminal will contain its own orbit model and that of its counter terminal for orbit prediction and for precise computation of pointing direction. Due to the very narrow field of view of the communication laser beam, the orbit propagation calculation needs to be done with a very high accuracy. The European Space Agency is responsible for the operation of both terminals. A PASTEL Mission Control System (PMCS) is being developed to control the PASTEL terminal on board SPOT4. The PMCS will interface with the SPOT4 Control Centre for the execution of the PASTEL operations. The PMCS will also interface with the ARTEMIS Mission Control System for the planning and the coordination of the operation. It is the first time that laser technology will be used to support inter-satellite links in Europe. Due to the complexity and experimental character of this new optical technology, the SILEX experiment control facilities will be designed to allow as much operational flexibility as possible.

Demelenne, B.↗

NASA NTRS2002

Research on Intelligent Synthesis Environment

The ultimate goal of this research project is to develop a methodology for the assessment and continuous improvement of engineering team effectiveness in distributed collaborative environments. This review provides the theoretical foundation upon which subsequent empirical work will be based. Our review of the team performance literature has identified the following 12 conceptually distinct team interaction processes as characteristic of effective teams. 1) Mission Analysis; 2) Resource Distribution; 3) Leadership; 4) Timing; 5) Intra-team Feedback; 6) Motivational Functions; 7) Team Orientation; 8) Communication; 9) Coordination; 10) Mutual Performance Monitoring; 11) Back-up Behaviors; and 12) Cooperation. In addition, this review summarizes how team task characteristics (i.e., task type, task complexity, motivation, and temporal changes), team characteristics (i.e., team structure and team knowledge), and individual team member characteristics (i.e., dispositions and teamwork knowledge, skills, and abilities) affect team interaction processes, determine the relevance of these processes, and influence team performance. The costs and benefits of distributed team collaboration are also considered. The review concludes with a brief discussion of the nature of collaborative team engineering tasks.

Loftin, R. Bowen↗

NASA NTRS2009

NASA Tech Briefs, November 2009

Topics covered include: Cryogenic Chamber for Servo-Hydraulic Materials Testing; Apparatus Measures Thermal Conductance Through a Thin Sample from Cryogenic to Room Temperature; Rover Attitude and Pointing System Simulation Testbed; Desktop Application Program to Simulate Cargo-Air-Drop Tests; Multimodal Friction Ignition Tester; Small-Bolt Torque-Tension Tester; Integrated Spacesuit Audio System Enhances Speech Quality and Reduces Noise; Hardware Implementation of a Bilateral Subtraction Filter; Simple Optoelectronic Feedback in Microwave Oscillators; Small X-Band Oscillator Antennas; Free-Space Optical Interconnect Employing VCSEL Diodes; Discrete Fourier Transform Analysis in a Complex Vector Space; Miniature Scroll Pumps Fabricated by LIGA; Self-Assembling, Flexible, Pre-Ceramic Composite Preforms; Flight-speed Integral Image Analysis Toolkit; Work Coordination Engine; Multi-Mission Automated Task Invocation Subsystem; Autonomously Calibrating a Quadrupole Mass Spectrometer; Determining Spacecraft Reaction Wheel Friction Parameters; Composite Silica Aerogels Opacified with Titania; Multiplexed Colorimetric Solid-Phase Extraction; Detecting Airborne Mercury by Use of Polymer/Carbon Films; Lattice-Matched Semiconductor Layers on Single Crystalline Sapphire Substrate; Pressure-Energized Seal Rings to Better Withstand Flows; Rollerjaw Rock Crusher; Microwave Sterilization and Depyrogenation System; Quantifying Therapeutic and Diagnostic Efficacy in 2D Microvascular Images; NiF2/NaF:CaF2/Ca Solid-State High-Temperature Battery Cells; Critical Coupling Between Optical Fibers and WGM Resonators; Microwave Temperature Profiler Mounted in a Standard Airborne Research Canister; Alternative Determination of Density of the Titan Atmosphere; Solar Rejection Filter for Large Telescopes; Automated CFD for Generation of Airfoil Performance Tables; Progressive Classification Using Support Vector Machines; Active Learning with Irrelevant Examples; A Data Matrix Method for Improving the Quantification of Element Percentages of SEM/EDX Analysis; Deployable Shroud for the International X-Ray Observatory; Improved Model of a Mercury Ring Damper; Optoelectronic pH Meter: Further Details; X-38 Advanced Sublimator; and Solar Simulator Represents the Mars Surface Solar Environment.

Source record↗

DOE OSTI2020

Connected Vehicle-Based Traffic Signal Coordination

This study presents a connected vehicles (CVs)-based traffic signal optimization framework for a coordinated arterial corridor. The signal optimization and coordination problem are first formulated in a centralized scheme as a mixed-integer nonlinear program (MINLP). The optimal phase durations and offsets are solved together by minimizing fuel consumption and travel time considering an individual vehicle’s trajectories. Due to the complexity of the model, we decompose the problem into two levels: an intersection level to optimize phase durations using dynamic programming (DP), and a corridor level to optimize the offsets of all intersections. In order to solve the two-level model, a prediction-based solution technique is developed. The proposed models are tested using traffic simulation under various scenarios. Compared with the traditional actuated signal timing and coordination plan, the signal timing plans generated by solving the MINLP and the two-level model can reasonably improve the signal control performance. When considering varies vehicle types under high demand levels, the proposed two-level model reduced the total system cost by 3.8% comparing to baseline actuated plan. MINLP reduced the system cost by 5.9%. It also suggested that coordination scheme was beneficial to corridors with relatively high demand levels. For intersections with major and minor street, coordination conducted for major street had little impacts on the vehicles at the minor street.

42 ENGINEERING↗