Search NASA⌕ Search

SEARCH · Search NASA

Results for “coordinated”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Homocoupling Reactions of Azoles and Their Applications in Coordination Chemistry

Pyrazole, a member of the structural class of azoles, exhibits molecular properties of interest in pharmaceuticals and materials chemistry, owing to the two adjacent nitrogen atoms in the five-membered ring system. The weakly basic nitrogen atoms of deprotonated pyrazoles have been applied in coordination chemistry, particularly to access coordination polymers and metal-organic frameworks, and homocoupling reactions can in principle provide facile access to bipyrazole ligands. In this context, we summarize recent advances in homocoupling reactions of pyrazoles and other types of azoles (imidazoles, triazoles and tetrazoles) to highlight the utility of homocoupling reactions in synthesizing symmetric bi-heteroaryl systems compared with traditional synthesis. Metal-free reactions and transition-metal catalyzed homocoupling reactions are discussed with reaction mechanisms in detail.

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

Coordination Chemistry of Solvated Metal Ions in Soft Donor Solvents

The structures of hexaammine solvated indium(III) and thallium(III) ions in liquid ammonia solution are determined by EXAFS. Both complexes have regular octahedral coordination geometry with mean In-N and Tl-N bond distances of 2.23(1) and 2.29(2) Å, respectively. Ammine solvated thallium(III) in liquid ammonia is characterized with 205Tl NMR measurements. Solvents such as liquid ammonia, N,N-dimethylthioformamide (DMTF), trialkyl and triphenyl phosphite and phosphine are strong electron pair donors and thereby able to form bonds with a large covalent contribution with strong electron pair acceptors. A survey of reported structures of ammine, DMTF, trialkyl and triphenyl phosphite and phosphine solvated metal ions in the solid state and solution is presented. The M-N and M-S bond distances in ammine and DMTF solvated metal ions are compared with the M-O bond distance in the corresponding metal ion hydrates, expected to form mainly electrostatic interactions with metal ions. The d10 metal ions have high ability to form bonds with a high degree of covalency with increasing ability down the group and with decreasing charge of the metal ion. The difference in M-N and M-O bond distances between ammine solvated and hydrated metal ions with the same coordination geometry decreases significantly with the increasing ability of the metal ion to form bonds with a large covalent contribution. This difference correlates well with the covalent bonding index, γM2*r.

Biochemistry & Molecular Biology↗
DOE OSTI2022

Opinion: Coordinated development of emission inventories for climate forcers and air pollutants

Emissions into the atmosphere of fine particulate matter, its precursors, and precursors to tropospheric ozone impact not only human health and ecosystems, but also the climate by altering Earth's radiative balance. Accurately quantifying these impacts across local to global scales historically and in future scenarios requires emission inventories that are accurate, transparent, complete, comparable, and consistent. In an effort to better quantify the emissions and impacts of these pollutants, also called short-lived climate forcers (SLCFs), the Intergovernmental Panel on Climate Change (IPCC) is developing a new SLCF emissions methodology report. This report would supplement existing IPCC reporting guidance on greenhouse gas (GHG) emission inventories, which are currently used by inventory compilers to fulfill national reporting requirements under the United Nations Framework Convention on Climate Change (UNFCCC) and new requirements of the Enhanced Transparency Framework (ETF) under the Paris Agreement starting in 2024. We review the relevant issues, including how air pollutant and GHG inventory activities have historically been structured, as well as potential benefits, challenges, and recommendations for coordinating GHG and air pollutant inventory efforts. We argue that, while there are potential benefits to increasing coordination between air pollutant and GHG inventory development efforts, we also caution that there are differences in appropriate methodologies and applications that must jointly be considered.

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

Random sub-diffusion and capture of genes by the nuclear pore reduces dynamics and coordinates inter-chromosomal movement

Hundreds of genes interact with the yeast nuclear pore complex (NPC), localizing at the nuclear periphery and clustering with co-regulated genes. Dynamic tracking of peripheral genes shows that they cycle on and off the NPC and that interaction with the NPC slows their sub-diffusive movement. Furthermore, NPC-dependent inter-chromosomal clustering leads to coordinated movement of pairs of loci separated by hundreds of nanometers. We developed fractional Brownian motion simulations for chromosomal loci in the nucleoplasm and interacting with NPCs. These simulations predict the rate and nature of random sub-diffusion during repositioning from nucleoplasm to periphery and match measurements from two different experimental models, arguing that recruitment to the nuclear periphery is due to random sub-diffusion and transient capture by NPCs. Finally, the simulations do not lead to inter-chromosomal clustering or coordinated movement, suggesting that interaction with the NPC is necessary, but not sufficient, to cause clustering.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Coordination namespace processing

An approach is described that accesses data in a shared memory that is shared amongst nodes that include a local node and remote nodes. The local node receives a name corresponding to a named data element in a Coordination Namespace, the Coordination Namespace having been created in a memory distributed amongst the nodes. A hash function is applied to at least a portion of the name with a result of the hash function being a natural node indicator. Data corresponding to the named data element is requested from a natural node identified by the indicator. Based on the request, a response is received from the natural node.

Nair, Rishi↗
DOE OSTI2021

Coordinated Optimal Control of PV Inverters and HVAC Loads in Distribution Systems

The increasing integration of distributed energy resources (DERs), such as photovoltaics (PVs) and smart buildings into distribution systems complicate power system operation and controls. This paper proposes a coordinated optimal control strategy for PV inverters and Heating, ventilation, and air conditioning (HVAC) loads in smart buildings to minimize the total network loss in a distribution system. For the HVAC units, we enforce minimum on and off time constraints to avoid frequent switching that can degrade the unit. The proposed control will dispatch optimal control signals of active and reactive power to PV inverters and on/off commands to HVAC units while maintaining the nodal voltage within a secure range and the temperature of HVAC units at a comfort level. The simulation results on a modified IEEE 33-node distribution system demonstrate that the proposed coordinated control scheme can reduce the network loss.

Pani, Naveen↗
DOE OSTI2022

Access of named data elements in coordination namespace

An approach is described that provides access to a named data element in a Coordination Namespace that is stored in a memory that is distributed amongst a set of nodes. A request of a name corresponding to the named data element is received from a requesting process and the approach responsively searches for the name in the Coordination Namespace. In response to determining an absence of data corresponding to the named data element, a pending state is indicated to the requesting process. In response to determining that the data corresponding to the named data element exists, a successful state is returned to the requesting process. In one embodiment, the successful state also includes providing the requesting process with access to the data corresponding to the named data element.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

ADMS and DER Coordinated Capability Demonstrations to Assist Utilities to Increase Resilience and Reliability

The proliferation of distributed energy resources (DERs) presents opportunities and challenges to distribution grid operators. The National Renewable Energy Laboratory (NREL) and Survalent are collaborating to demonstrate advanced distribution management system (ADMS) and DER coordinated capability to assist utilities to increase resilience and reliability. ADMS and Distributed Energy Resource Management System (DERMS) Coordination for Peak Load Management (PLM). Fault Location, Isolation, and Service Restoration (FLISR) in the Presence of DERs. Grid-Edge Intelligent Distribution Automation System for Self-Healing Distribution Grids. These laboratory demonstrations use NREL's ADMS Test Bed.

ADMS↗
DOE OSTI2022

Coordinated voltage control and reactive power regulation between transmission and distribution systems

Systems and methods are described for coordinating volt-var control between sub-transmission and distribution systems. Distributed energy resources of a distribution system are aggregated into virtual power plants from which reactive power can optimally be dispatched to the sub-transmission system. A sub-transmission controller executes a volt-var AC optimal power flow optimisation function to minimize voltage fluctuations that might otherwise occur when coordinating with a distribution system having distributed energy resources. The distribution system can use a sensitivity matrix for regulating voltage at distribution feeders while fulfilling a transmission or sub-transmission system's demand requests.

Samaan, Nader A.↗
DOE OSTI2022

Sharing tuples across independent coordination namespace systems

A system and method for federating a tuple storage database across multiple coordinated namespace (CNS) extended memory storage systems allowing the sharing of tuples and tuple data across independent systems. The method provides a federation service for multiple coordination namespace systems. The method retrieves a tuple from connected independent CNS systems wherein a local CNS Controller sends a read request to the local gatekeeper to retrieve a first tuple and creates a local pending remote record. The local gatekeeper at a requesting node sends a broadcast query to a plurality of remote gatekeepers for the tuple and Remote gatekeepers at remote nodes query in its local CNS for the tuple. The Local gatekeeper process at the requesting node receives results from a plurality of remote gatekeepers for the said tuple and selects one remote gatekeeper to receive the requested tuple and broadcasts a read for tuple data with selected gatekeeper.

Jacob, Philip↗
DOE OSTI2021

Utah FORGE Updated Well, Well Pad, and Seismic Station GPS Coordinates December, 2021

This is a CSV spreadsheet containing UTM and Latitude and Longitude coordinates and elevations for Wells 78-32, 78B-32, 56-32, 58-32, 68-32, and 16A(78)-32 and seismic stations BOR1, BOR2, BOR3, FOR1, FOR2, FOR5, FOR6, FOR 7, FOR8, FORK, FORU, FORW, and FORB. These are from a GPS survey conducted by the Utah Geological Survey completed in December, 2021.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Fluid Dynamics in Curvilinear Coordinates without Fictitious Forces

The use of curvilinear coordinates is sometimes indicated by the inherent geometry of a fluid dynamics problem, but this introduces fictitious forces into the momentum equations that spoil the strict conservative form. If one is willing to work in three dimensions, these fictitious forces can be eliminated by solving for rectangular (Cartesian) momentum components on a curvilinear mesh. A thoroughly geometric approach to fluid dynamics on spacetime demonstrates this transparently, while also giving insight into a greater unity of the relativistic and nonrelativistic cases than is usually appreciated.

pseudo-forces↗
DOE OSTI2020

Semiconducting to Metallic Electronic Landscapes in Defects-Controlled 2D π-d Conjugated Coordination Polymer Thin Films

Two-dimensional coordination polymers (2DCPs) have been predicted to exhibit exotic properties such as superconductivity, topological insulating behavior, catalytic activity, and superior ion transport for energy applications; experimentally, these materials have fallen short of their expectation due to the lack of synthesis protocols that yield continuous, large crystallite domains, and highly ordered thin films with controllable physical and chemical properties. Herein, the fabrication of large-area, highly ordered 2DCP thin films with large crystallite domains using chemical vapor deposition (CVD) approaches is described. It is demonstrated that defects and the packing motifs of 2DCP thin films may be controlled by adjusting the vapor–vapor and vapor–solid interactions of the metal and organic linker precursors during the CVD fabrication process. Such control allows for the fabrication of defects-controlled 2DCP thin films that show either semiconducting or metallic behavior. The findings provide the first demonstration of tuning the electrical properties of sub 100 nm-thick continuous 2DCP thin films by controlling their electronic landscape through defect engineering. As such, it is determined that large-area, highly ordered 2DCP thin films may undergo a semiconducting to metallic transition that is correlated to changes in morphology, crystalline domain sizes, crystallite orientation, defect interactions, and electronic structure.

2D coordination polymers↗
DOE OSTI2021

Dual-Ion Intercalation and High Volumetric Capacitance in a Two-Dimensional Non-Porous Coordination Polymer

Intercalation is a promising ion-sorption mechanism for enhancing the energy density of electrochemical capacitors (ECs) because it offers enhanced access to the electrochemical surface area. It requires a rapid transport of ions in and out of a host material, and it must occur without phase transformations. Materials that fulfil these requirements are rare; those that do intercalate almost exclusively cations. Herein, we show that Ni3(benzenehexathiol) (Ni 3 BHT), a non-porous two-dimensional (2D) layered coordination polymer (CP), intercalates both cations and anions with a variety of charges. Whereas cation intercalation is pseudocapacitive, anions intercalate in a purely capacitive fashion. The excellent EC performance of Ni3BHT provides a general basis for investigating similar dual-ion intercalation mechanisms in the large family of non-porous 2D CPs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Structure Activity Relationships for Second‐Coordination Sphere Functional Group Dependent CO 2 Reduction by Manganese Bipyridyl Electrocatalysts

Abstract A series of twelve second coordination sphere (SCS) functionalized manganese tricarbonyl bipyridyl complexes are investigated for their electrocatalytic CO 2 reduction properties in acetonitrile. A qualitative and quantitative assessment of the SCS functional groups is discussed with respect to the catalysts’ thermodynamic and kinetic efficiencies, and their product selectivities. In probing a broad scope of functional groups, it is clear that only the aprotic ortho‐arylester SCS is capable of promoting the highly desired low‐overpotential proton‐transfer electron‐transfer (PT‐ET) pathway for selective CO production. The ortho‐phenolic analogues cause an increase in overpotential with a product selectivity favoring H 2 evolution, consistent with a high‐overpotential pathway via the anionic [Mn−H] − intermediate. Alternative aprotic Lewis base functional groups such as trifluoromethyl, morpholine and acetamide are shown to also be capable of intermediate manganese hydride generation. The tertiary amine substituent, 2‐morpholinophenyl, exhibits a desirable product distribution characteristic of syn‐gas (CO : H 2 =30 : 48) with an impressive turnover frequency, while the secondary amine group, 2‐acetamidophenyl, induces a notable shift in selectivity with a faradaic yield of 55 % for the formate (HCO 2 − ) product. In addition to their catalytic properties, cyclic voltammetry and infrared spectroelectrochemistry (IR‐SEC) studies are presented to probe pre‐catalyst electronic properties and the two‐electron reduction activation pathway.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Sequential Separation of Linear, Mono–, and Di–Branched Hexane Isomers on a Robust Coordination Polymer with Nonbonding Flexibility

Efficient separation of hexane isomers is a crucial process for upgrading gasoline. Herein, the sequential separation of linear, mono-, and di-branched hexane isomers by a robust stacked 1D coordination polymer termed as Mn-dhbq ([Mn(dhbq)(H 2 O) 2 ], H 2 dhbq = 2,5-dihydroxy-1,4-benzoquinone) is reported. The interchain space of the activated polymer is of optimal aperture size (5.58 Å) that could exclude 2,3-dimethylbutane, while the chain structure can discriminate n-hexane with high capacity (1.53 mmol g –1 at 393 K, 6.67 kPa) by high-density open metal sites (5.18 mmol g –1 ). With the temperature- and adsorbate-dependent swelling of interchain spaces, the affinity between 3-methylpentane and Mn-dhbq can be deliberately controlled from sorption to exclusion, and thus a complete separation of ternary mixture can be achieved. Column breakthrough experiments confirm the excellent separation performance of Mn-dhbq. Furthermore, the ultrahigh stability and easy scalability further highlight the application prospect of Mn-dhbq for separation of hexane isomers.

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

Structural Manipulation of a Zirconocene-Based Porous Coordination Cage Using External and Host–Guest Stimuli

Porous coordination cages (PCCs) constructed from a zirconocene-based cluster have drawn great attention for their high stability and structural tunability. These features have enabled these cages to be utilized for a wide array of applications. Here this work demonstrates the structural flexibility and stimulus-responsive features of two interconvertible zirconocene-based PCCs. The subjects, PCC-20c (capsular) and PCC-20t (tetrahedral), are constructed from the same cluster and ligand but exhibit different shapes and properties. In the synthetic study of the cages, it is found that higher temperatures of synthesis yield PCC-20c in several different crystalline phases while lower temperatures of synthesis yield pure phase PCC-20t. Thermodynamic studies on the interconversion of the two cages show that the conversion from PCC-20t into PCC-20c is an entropically driven process and can be largely affected by the solvent environment. Additionally, the process of PCC-20t/c conversion can be mediated by the counter anions and light irradiation as evidenced by the change in equilibrium constants under these influences. The current studies are conducted to decipher how the PCC-20t/c phase can be controllably synthesized, interconverted, and their properties can be modified under the use of external stimuli: heat, light, and guest molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The coordination properties and ionic radius of actinium: A 120-year-old enigma

Actinium is an elusive element with untamed properties and represents a peculiar case in the periodic table, as its isotopes are all radioactive, the longest-lived one having only a 22-year half-life, and the availability of actinium isotopes remains very low (microgram level, at best), hindering research on its compounds. Despite being a natural element discovered more than 120 years ago, and despite an increasing interest in using one of its isotopes ( 225 Ac) for highly efficient cancer therapies, the chemistry of actinium is still largely unknown relative to other elements. Since Ac is the first element of the actinide series, it is accepted that its ion, Ac 3+ , is the most voluminous trivalent cation of the periodic table. However, the structural data available on Ac 3+ compounds are scarce and have mainly been collected in the 1940-1960's, when actinide chemistry was still in its infancy, and have not been put in perspective with the advances in the chemistry of other elements, making it difficult to accurately evaluate its actual size and coordination chemistry. Here, we review progress made on the chemistry of lanthanides and actinides and reevaluate the structural data published on Ac 3+ since the era of the Manhattan Project. The data are combined across different spectroscopic and characterization methods and presented in the context of periodic trends. When considering crystallographic data, solution chemistry results, and the nuclear properties of actinium isotopes, it appears that some structural parameters ascribed to the Ac 3+ ion may have been overestimated. This review can guide researchers interested in actinide sciences and those who are pursuing the development of actinium-based radiotherapies, from isotope production to clinical trials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗