Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Configuration interaction”

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 1,513 records · Page 84

EnergyPlus Model Context Protocol Server (EnergyPlus-MCP) v0.1

EnergyPlus-MCP is the first open-source Model Context Protocol server specifically designed for EnergyPlus building energy simulation. This innovative software enables AI assistants and other applications to interact programmatically with EnergyPlus through a standardized, secure interface, eliminating traditional technical barriers in building energy modeling. The software provides specialized tools across five functional domains: server management, model configuration and loading, comprehensive building component inspection, systematic model modification, and simulation execution with results visualization. Key features include automated HVAC system discovery and topology mapping, advanced schedule analysis, intelligent model validation, and interactive visualization capabilities. EnergyPlus-MCP's layered architecture ensures robust separation between protocol communication and domain expertise, enabling scalable deployment across organizations, educational institutions, and research teams. Unlike direct LLM approaches that suffer from inconsistent results and security gaps, EnergyPlus-MCP provides validated, reliable interactions while maintaining scientific rigor. This democratizes sophisticated building energy analysis, making EnergyPlus accessible to broader audiences through conversational interfaces and streamlined workflows.

Li, Han [Lawrence Berkeley National Laboratory (LB↗

Orbital dependent complications for close vs well-separated electrons in diradicals

We investigate two limits in open-shell diradical systems: O3, in which the interesting orbitals are in close proximity to one another, and (C21H13)2, where there is a significant spatial separation between the two orbitals. In accord with earlier calculations, we find that standard density-functional approximations do not predict the open-shell character for the former case but uniformly predict the open-shell character for the latter case. We trace the qualitatively incorrect behavior in O3 predicted by these standard density functional approximations to self-interaction error and use the Fermi–Löwdin-orbital-self-interaction-corrected formalism to determine accurate triplet, closed-shell singlet, and open-shell broken-spin-symmetry electronic configurations. Analysis of the resulting many-electron overlap matrices allows us to unambiguously show that the broken-spin-symmetry configurations do not participate in the representation of the Ms = 0 triplet states and allows us to reliably extract the singlet–triplet splitting in O3 by analyzing the energy as a function of Fermi-orbital-descriptor permutations. The results of these analyses predict the percentage of open-shell character in O3, which agrees well with conventional wavefunction-based methods. While these techniques are expected to be required in cases near the Coulson–Fischer point, we find that they will be less necessary in diradical systems with well-separated electrons, such as (C21H13)2. Results based on energies from self-interaction-corrected generalized gradient, local density, and Hartree–Fock approximations and experimental results are in generally good agreement for O3. These results help form the basis for deriving extended Heisenberg-like Hamiltonians that are needed for descriptions of molecular magnets when there are competing low-energy electronic configurations.

Chemistry↗

Non-dilute helium-related defect interactions in the near-surface region of plasma-exposed tungsten

We report a systematic energetic analysis of helium-related defect interactions that mediate helium (He) segregation on surfaces of plasma-exposed tungsten at different levels of He ion implantation. We focus on high He fluences that increase the He content in the plasma-exposed material well beyond the dilute limit of He concentration and employ atomic configurations generated by large-scale molecular dynamics simulations of He-implanted tungsten. We perform systematic molecular statics computations of cluster– defect interaction energetics in the highly defect-rich near-surface region of plasma-exposed tungsten for small mobile helium clusters as a function of the cluster distance from the surface. In this region, mobile clusters are also subjected to the stress fields generated by defects such as helium bubbles and other clusters, which govern cluster–defect interactions in addition to the cluster–surface interaction. Based on systematic investigation of individual cluster–defect interactions, we develop a mathematical framework to describe the interaction energy landscapes consisting of elastic interaction potential perturbations to finite-width square-well potentials, where the potential well accounts for cluster trapping by the defect at close range and subsequent coalescence and the perturbation potential is parameterized according to elastic inclusion theory. Superposition of all the relevant interaction potentials provides a comprehensive description of the interaction energy landscape that would be experienced by a small mobile cluster along its migration path toward the plasma-exposed surface at high He fluence. Such descriptions are particularly important for developing atomistically-informed, hierarchical multi-scale models of helium cluster dynamics in plasma-facing materials.

36 MATERIALS SCIENCE↗

Molecular-scale Insights into Cooperativity Switching of x TAB Adsorption on Gold Nanoparticles

Quantifying adsorption behaviors is crucial for various applications such as catalysis, separation, and sensing, yet it is generally challenging to access in solution. Here, we report a combined experimental and computational study of the adsorption behaviors of alkyl-trimethylammonium bromides (xTAB), a class of ligands important for colloidal nanoparticle stabilization and shape control, with various alkyl chain lengths x on Au nanoparticles. We use density functional theory (DFT) to calculate xTAB binding energies on Au{111} and Au{110} surfaces with standing-up and lying-down configurations, which provides insights into the adsorption affinity and cooperativity differences of xTAB on these two facets. We demonstrate the key role of van der Waals interactions in determining the xTAB adsorption behavior. These computational results predict and explain the experimental discovery of xTAB’s adsorption behavior switch from stronger affinity, negative cooperativity to weaker affinity, positive cooperativity when the concentration of xTAB increases in solution. We also show that in the standing-up configuration, bilayer adsorption may occur on both facets, which can lead to different differential binding energies and consequently adsorption crossover between the two facets when the ligand concentration increases. Our combined experimental and computational approaches demonstrate a paradigm for gaining molecular-scale insights into adsorbate–surface interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Onset of band structure in 70 Ga

Excited states in the odd-odd nucleus 70 Ga were studied using the 62 Ni( 14 C, αpn) fusion-evaporation reaction at the John D. Fox Superconducting Accelerator Laboratory at Florida State University with a 50 MeV beam. Depopulating γ rays were measured in coincidence with a Compton-suppressed Ge array consisting of three Clover detectors and seven single-crystal detectors. Analysis of γ–γ coincidences led to the addition of 16 new transitions to the 70 Ga level scheme, including transitions associated with the onset of a new positive-parity band structure likely based on the πg 9/2 ⊗ νg 9/2 configuration. Spins and parities were assigned using directional correlation of oriented nuclei (DCO) ratios and linear polarization measurements. Shell-model calculations with the JUN45 effective interaction reproduce the excitation energies of the positive-parity states reasonably well but predict negative-parity states that are typically 400–500 keV lower than observed. Furthermore, total Routhian surface calculations for the lowest positive-parity configuration with signature α = 0 indicate significant triaxiality (γ ≈ −20°) and the development of competing non-collective excitations at J = 8, corresponding to the experimentally observed onset of the positive-parity band. Similar features are found in the calculated surfaces for the lowest negative-parity states with α = 0.

59 ≤ A ≤ 89↗

A study of an orbital radar mapping mission to Venus. Volume 2: Configuration comparisons and systems evaluation

Configuration comparisons and systems evaluation for the orbital radar mapping mission of the planet Venus are discussed. Designs are recommended which best satisfy the science objectives of the Venus radar mapping concept. Attention is given to the interaction and integration of those specific mission-systems recommendations with one another, and the final proposed designs are presented. The feasibility, cost, and scheduling of these configurations are evaluated against assumptions of reasonable state-of-the-art growth and space funding expectations.

Source record↗

An investigation of engine influence on inlet performance

The performance of a conventional engine/inlet installation, in which inlet and engine flow field interaction occurs, was compared to the performance of the same inlet remote coupled to the engine. The remote coupled inlet configuration decouples the influence of the engine on the inlet flow field and simulates current small scale inlet test techniques in which inlet airflow is provided by a vacuum source or coupled engine. The investigation was conducted in the NASA-Ames 40- by 80-foot wind tunnel using a General Electric TF-34 turbofan engine and a subsonic inlet having an average inlet contraction ratio of 1.26. Test results indicated that engine interaction allows the inlet to operate with lower distortion levels at and beyond the separation angle-of-attack experienced without engine interaction.

Hodder, B. K.↗

High-Lift Engine Aeroacoustics Technology (HEAT) Test Program Overview

The NASA High-Speed Research program developed the High-Lift Engine Aeroacoustics Technology (HEAT) program to demonstrate satisfactory interaction between the jet noise suppressor and high-lift system of a High-Speed Civil Transport (HSCT) configuration at takeoff, climb, approach and landing conditions. One scheme for reducing jet exhaust noise generated by an HSCT is the use of a mixer-ejector system which would entrain large quantities of ambient air into the nozzle exhaust flow through secondary inlets in order to cool and slow the jet exhaust before it exits the nozzle. The effectiveness of such a noise suppression device must be evaluated in the presence of an HSCT wing high-lift system before definitive assessments can be made concerning its acoustic performance. In addition, these noise suppressors must provide the required acoustic attenuation while not degrading the thrust efficiency of the propulsion system or the aerodynamic performance of the high-lift devices on the wing. Therefore, the main objective of the HEAT program is to demonstrate these technologies and understand their interactions on a large-scale HSCT model. The HEAT program is a collaborative effort between NASA-Ames, Boeing Commercial Airplane Group, Douglas Aircraft Corp., Lockheed-Georgia, General Electric and NASA - Lewis. The suppressor nozzles used in the tests were Generation 1 2-D mixer-ejector nozzles made by General Electric. The model used was a 13.5%-scale semi-span model of a Boeing Reference H configuration.

Zuniga, Fanny A.↗

Effect of exhaust nozzle configuration on aerodynamic and acoustic performance of an externally blown flap system with a quiet 6:1 bypass ratio engine

A highly suppressed TF-34 engine was used to investigate engine and flap interaction noise associated with an externally blown flap STOL powered lift system. Noise, efficiency, and velocity decay characteristics of mixed and separate flow exhaust systems including convergent, co-annular, and lobed designs were determined with the engine operating alone. Noise data were then obtained for several of the exhaust configurations with the engine blowing a wing-flap segment. Noise for both the engine alone and the engine with blown flaps showed substantial differences for the various exhaust configurations tested. The differences in observed noise are related primarily to nozzle effective exhaust velocity, flap impingement velocity, and noise spectral shape.

Samanich, N. E.↗

Effect of exhaust nozzle configuration on aerodynamic and acoustic performance of an externally blown flap system with a quiet 6:1 bypass ratio engine

A highly suppressed TF-34 engine was used to investigate engine and flap interaction noise associated with an externally blown flap STOL powered lift system. Noise, efficiency, and velocity decay characteristics of mixed and separate flow exhaust systems including convergent, co-annular, and lobed designs were determined with the engine operating alone. Noise data were then obtained for several of the exhaust configurations with the engine blowing a wing-flap segment. Noise for both the engine alone and the engine with blown flaps showed substantial differences for the various exhaust configurations tested. The differences in observed noise are related primarily to nozzle effective exhaust velocity, flap impingement velocity, and noise spectral shape.

Samanich, N. E.↗

Mars 2020 Perseverance Rover SHERLOC Instrument Isolation System

The NASA Jet Propulsion Laboratory (JPL) successfully landed the Mars 2020 Perseverance Rover at Jezero Crater on the Martian surface. Perseverance’s main mission objective is to cache Martian rock and regolith samples in hermetically sealed tubes to be brought back to Earth by future missions. To achieve this goal the rover is equipped with a 2-meter-long Robotic Arm (RA) which manipulates the Turret to interact with the surface. The Turret is comprised of science instruments and tools that enable surface sampling and science. The backbone of the Turret hardware is the Rotary Percussive Coring Drill. The science instruments, which are directly mounted to the structural housing of this drill, must be able to withstand not only the launch and entry, descent and landing (EDL) loads of the vehicle but also the dynamic percussive environment, induced by the drill throughout surface operations. This paper discusses the technical hardware design, development and testing of a vibration isolation system to protect the Scanning Habitable Environments with Raman and Luminescence for Organics and Chemicals (SHERLOC) Instrument from these dynamic environments. The hardware design aspect of this problem was limited by both size and mass constraints. The Turret is tightly configured and the physical space in which hardware can reside is restricted due to multiple axes of surface interaction points. Another driving requirement is the extreme range of thermal non-operational environment from -135C to +90C. This, in addition to SHERLOC being a heavier instrument than previously integrated on a turret, made the use of isolation systems employed on previous rover missions problematic. The final design incorporates custom wire mesh springs preloaded within titanium hexapod struts equipped with flexure ends. Custom versions of commercially available wire mesh springs were designed and tested. These custom springs differed in dimension, density and stiffness from the off the shelf options. The newly designed springs went through various stages of flight acceptance testing. Detailed physics-based modeling to understand what loads the isolation system would experience was used to define the test conditions for the springs and entire isolation subsystem. The testing program developed around this was extensive to fully characterize the isolation performance over cleanliness levels, temperature and life. Another major aspect of this work was developing a method of replicating the drill’s percussive environment for performance and life testing of Turret mounted hardware. Attaching the instrument to an operating drill for testing was not a viable option. A method of using a Highly Accelerated Life Test (HALT) table was developed and applied across the project as the most representative and tunable option to physically simulate this new environment. This method, along with launch environment random vibration testing, was used to build an entire dynamic qualification and flight hardware test program. The results of the design, modeling, testing and analysis of the SHERLOC Isolation System is described throughout the following paper.

Krafchak, Todd↗

Wind Tunnel-Based Aerodynamic Model Identification for a Tilt-Wing, Distributed Electric Propulsion Aircraft

This paper describes the methodology used to develop a high-fidelity aerodynamic model for the Langley Aerodrome No. 8 (LA-8) tandem tilt-wing, distributed electric propulsion, vertical takeoff and landing aircraft. Electric vertical takeoff and landing (eVTOL) vehicle configurations exhibit aerodynamic characteristics of both fixed-wing and rotary-wing aircraft as well as complex vehicle-specific phenomena, such as propeller-wing interactions and high incidence angle propeller aerodynamics. Consequently, conventional aircraft aerodynamic modeling strategies require modification when applied to eVTOL aircraft. Two novel system identification-based approaches are used to develop an aerodynamic model for the LA-8 aircraft configuration using wind tunnel data collected with design of experiments techniques. The modeling strategies are compared by assessing their predictive performance for validation data acquired separately from the data used to identify the model and are shown to have sufficient predictive capability. Research findings are presented with a discussion of unique eVTOL aerodynamic modeling characteristics and practical strategies to inform future aerodynamic modeling efforts for eVTOL aircraft.

Urban Air Mobility↗

Human-Building Collaboration: Toward lighting enabled collaborative system design

The profession of lighting design is evolving as contemporary lighting systems increasingly rely on cutting-edge computational technologies, sensors, and IOT systems. This trend requires designers to incorporate ideas of automation, dynamic controls, and user-system interaction into their design logic. However, real-time lighting simulations are constrained by inherent limitations arising from the reductive assumptions inevitably introduced in simulated lighting environments. This raises the question of how can designers account for the discrepancies between simulated and real lighting environments, and how can collaboration between humans and autonomous lighting systems bridge this gap. To address this question, we propose a protocol for designing collaborative interactions between humans and systems. Furthermore, this protocol builds on the Human-Lighting System Interaction Framework and demonstrates how human and system intelligence can be combined to fine-tune lighting qualities in a given space. Our paper shows how interactive lighting systems can customize lighting based on user preferences in real-time and how global lighting configurations can be adjusted over time. Specifically, we demonstrate: a) Human-system collaboration assumptions and goals, as well as how the protocol can be integrated into digitally programmable lighting systems. b) Implementations of collaboration that reveal how system autonomy, performance, and user experience are improved over short and long-term timeframes. c) How lighting design can be enhanced beyond simulation-driven design optimization capacities. The associated affordances and limitations are discussed with respect to existing lighting simulation design frameworks.

autonomous systems↗

Direct Integration of Strained-Pt Catalysts into Proton-Exchange-Membrane Fuel Cells with Atomic Layer Deposition

The design and fabrication of lattice-strained platinum catalysts achieved by removing a soluble core from a platinum shell synthesized via atomic layer deposition, is reported. The remarkable catalytic performance for the oxygen reduction reaction (ORR), measured in both half-cell and full-cell configurations, is attributed to the observed lattice strain. By further optimizing the nanoparticle geometry and ionomer/carbon interactions, mass activity close to 0.8 A mg Pt -1 @0.9 V iR-free is achievable in the membrane electrode assembly. Nevertheless, active catalysts with high ORR activity do not necessarily lead to high performance in the high-current-density (HCD) region. More attention shall be directed toward HCD performance for enabling high-power-density hydrogen fuel cells.

25 ENERGY STORAGE↗

Observation of Joule–Thomson photon-gas expansion

In recent years, a self-consistent optical thermodynamic framework has emerged that offers a systematic methodology to understand, harness and exploit the complex collective dynamics of multimode nonlinear systems. These developments now allow consideration of a series of longstanding problems in optics, including the prospect of funnelling the entire power flowing in a multimode system into its ground state, for which no methodology currently exists. Here, we demonstrate an all-optical Joule-Thomson expansion process mediated by photon-photon interactions whereby the temperature of the optical gas drops abruptly to zero. Our experiments in various configurations of coupled multicore nonlinear waveguide arrangements illustrate how light undergoing expansion-induced cooling can be channelled from arbitrary input states into the fundamental mode with near-unity efficiency. We show that the stability of the post-expansion state is ensured through an irreversible process of energy conversion. The all-optical thermodynamic phenomena explored in this study may enable innovative techniques where various uncorrelated but identical sources are merged into a unified spatially coherent state, offering a route for direct beam combining.

Kirsch, Marco S. (ORCID:0000000342798228)↗

The Distributed Grid Sensing Services (DGSS) platform: A scalable and decentralized sensor dissemination network

In this paper, a scalable, decentralized sensor-oriented, communication blueprint will be introduced. The proposed architecture has been specifically designed to support the mass deployment of sensors while enabling data consumers to access the underlying data streams using a distributed systems approach. With the proposed approach, sensors and data clients can be decoupled from the physical communication infrastructure and migrated into a modern, software-defined infrastructure ecosystem that can be configured to suit the end application’s demands. In its current iteration, the blueprint defines the interactions, processes, and expected outcomes that each individual component within the architecture must fulfill in order to support the overall ecosystem’s needs. Within this work, such assemble of services is referred the databus, and represents the heart of the Distributed Grid Sensing Services (DGSS) architecture, a multi-year project that aims to design, implement and test a dedicated sensor dissemination network that can support the needs of the extended grid state. It is our expectation, that the proposed blueprint presented in this paper will serve as a future guide to our implementation efforts

Sebastian Cardenas, David J.↗

Technology Strategy Assessment: Findings from Storage Innovations 2030 Thermal Energy Storage

The concept of thermal energy storage (TES) can be traced back to early 19th century, with the invention of the ice box to prevent butter from melting. Modern TES development began with building heating and cooling and concentrated solar thermal technologies for power generation in the early 1900s and late 1970s, respectively. TES systems provide many advantages compared with other long-duration energy storage (LDES) technologies, which include low costs, long operational lives, high energy density, synchronous power generation capability with inertia that inherently stabilizes the grid, and the ability to output both heat and electricity. TES Use Cases TES technologies can couple with most renewable energy systems, including wind, photovoltaic, and concentrated solar thermal energy, and can be used for heat-to-heat, heat-to-electricity, electricity-to-heat, and electricity-to-electricity (bidirectional electricity) applications. The three types of TES that have heat as an input or output are grouped together for the purposes of this report. Retrofitting retired thermal power plants can be a potential cost-effective option for TES with electricity output because they both use a similar thermal-to-electricity type of conversion. Additionally, TES can directly serve heat demand for buildings and industrial processes, displacing fossil fuels to achieve broad decarbonization. Bidirectional Electricity Figure 1 shows a bidirectional electricity TES (ETES) architecture that is emerging as a prime technology for LDES at a grid scale. The ETES technology can utilize existing TES technology infrastructures, has no geological limitations (such as mountains and water for pumped storage hydro, underground natural caverns for compressed-air energy storage, etc.), and is capable of deployment anywhere in the United States and the world for broad uses. Particularly, ETES technology can be placed at retired fossil-fueled thermal power plants to reuse decommissioned assets, protect job security in associated communities, and provide resilient and high-inertia (i.e., spinning) power to the grid. Heat Input and Output There also are many ways to integrate TES within heat-to-electricity, heat-to-heat, and electricity-to-heat applications, such as those used in concentrating solar power (CSP), buildings, district heating, and industry process heat applications. These categories can be further classified for low- and high-temperature applications. High-temperature thermal energy storage (HTTES) heat-to-electricity TES applications are currently associated with CSP deployments for power generation. TES with CSP has been deployed in the Southwestern United States with rich solar resources and has proved its value to the electric grid. Electricity-to-heat and heat-to-heat HTTES applications present great potential for decarbonizing energy-intensive industrial process heat applications [8, 9], such as iron ore processing, iron smelting, cement production, glass manufacturing, mineral processing, and chemical production. Some industrial processes require process heat at temperatures > 1,400°C, so HTTES can be utilized to reduce fuel consumption in those processes through fuel, oxidizer, and process material pre-heating. Thermal energy storage for augmenting existing industrial process heat applications makes a much more attractive economic case because the energy penalty due to thermal-to-electric conversion is eliminated. Co-located applications of power production and heat also can add to the value stacking of integrating utility-scale TES; however, these scenarios are very case specific and not practically possible in many cases. These constraints are primarily attributed to the existing infrastructure being designed, developed, and constructed for many decades around the most economically feasible technologies, such as electricity and a selection of fossil fuels for heat input. Low-temperature TES can be utilized for building and district heating and cooling, as well as some process heat applications in electricity-to-heat and heat-to-heat configurations. Lower temperature TES (LTTES) can be added to heat pump equipment (electric input), either directly interacting with the refrigerant in the condenser or evaporator, or through a secondary heat transfer fluid. It also can be integrated in the building envelope or within the ducts of the heating, ventilation, and air conditioning (HVAC) system. Cost-effective integration of TES into buildings adds significant cost, and it is one of the key barriers preventing the commercialization and deployment of TES. The optimal strategy for integrating TES with buildings has yet to be determined for various applications of TES. Nevertheless, thermal storage materials are far less costly per unit of energy stored than electricity storage materials. This means that thermal storage has the potential to reduce the cost to society of energy storage.

25 ENERGY STORAGE↗

Distributed Grid-Sensing Service Layer: A System Architecture Blueprint

In this report, a scalable, decentralized, sensor-oriented communication blueprint is introduced. The proposed architecture has been specifically designed to support the mass deployment of sensors and also enable data consumers to access the underlying data streams using a distributed systems approach. With the proposed approach, sensors and data clients can be decoupled from the physical communication infrastructure and migrated into a modern, software-defined infrastructure ecosystem that can be configured to suit the end application’s requirements. In its current iteration, this blueprint defines the interactions, processes, and expected outcomes that each individual component within the architecture must support the overall ecosystem’s needs. Within this work, such an assembly of services is called the data bus; it represents the heart of the distributed grid sensing services architecture, a multiyear project that aims to design, implement, and test a reference sensor-data dissemination network that can support the needs of the extended grid state. We expect this blueprint to guide our future implementation efforts

24 POWER TRANSMISSION AND DISTRIBUTION↗