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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.

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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Distributed Embedded Energy Converter Technologies for Marine Renewable Energy (A Technical Report)

The domain of distributed embedded energy converter technologies (DEEC-Tec) is a nascent and underexplored paradigm for harvesting and converting marine renewable energy. The paradigm distinguishes itself through its use of many small distributed embedded energy converters (DEECs) that, ultimately, are assembled through the creation of "DEEC-Tec metamaterials" to create an overall larger marine renewable energy harvesting and converting structure. As an example, such a structure could be an ocean wave energy converter - a converter whose structure is made from various types of DEEC-Tec metamaterials that harvests ocean wave energy and converts that energy into something more useful such as electricity. To that end, DEEC-Tec can be viewed at three different technology levels: (1) individual distributed embedded energy converters, also known as DEECs; (2) DEEC-Tec metamaterials-essentially, pseudo-materials made from the interconnection of many DEECs; and (3) overall larger complete marine renewable energy harvesting-converting structures-these structures being made from DEEC-Tec metamaterials. Arising directly from the application of DEEC-Tec to harvest and convert ocean wave energy are several noteworthy benefits, some of which include: (1) the lack of load concentrations into singular components or subsystems, (2) broad-banded ocean wave energy frequency harvesting and conversion, and (3) inherent redundancy-failure of some individual DEECs does not represent a failure of an entire DEEC-Tec-based WEC. This report describes DEEC-Tec by way of descriptions of those three technology levels: individual DEECs, DEEC-Tec metamaterials, and DEEC-Tec-based WECs. Moreover, the report describes corresponding research approaches and methodologies for related concepts such as DEEC-Tec-based WEC topologies and morphologies in addition to manufacturing and fabrication techniques found suitable for the application of DEEC-Tec within the general domain of marine renewable energy-moving beyond only ocean wave energy conversion.

16 TIDAL AND WAVE POWER↗
DOE OSTI2025

Embedded Sensing in Additive Manufacturing Metal and Polymer Parts: A Comparative Study of Integration Techniques and Structural Health Monitoring Performance

This study presents a comparative evaluation of post-process sensor integration in additively manufactured (AM) metal and the in-situ process for polymer structures for structural health monitoring (SHM), with an emphasis on embedded sensors. Geometrically identical specimens were fabricated using copper via metal fused filament fabrication (FFF) and PLA via polymer FFF, with piezoelectric transducers (PZTs) inserted into internal cavities to assess the influence of material and placement on sensing fidelity. Mechanical testing under compressive and point loads generated signals that were transformed into time–frequency spectrograms using a Short-Time Fourier Transform (STFT) framework. An engineered RGB representation was developed, combining global amplitude scaling with an amplitude-envelope encoding to enhance contrast and highlight subtle wave features. These spectrograms served as inputs to convolutional neural networks (CNNs) for classification of load conditions and detection of damage-related features. Results showed reliable recognition in both copper and PLA specimens, with CNN classification accuracies exceeding 95%. Embedded PZTs were especially effective in PLA, where signal damping and environmental sensitivity often hinder surface-mounted sensors. This work demonstrates the advantages of embedded sensing in AM structures, particularly when paired with spectrogram-based feature engineering and CNN modeling, advancing real-time SHM for aerospace, energy, and defense applications.

additive manufacturing↗
DOE OSTI2024

How Well Can Quantum Embedding Method Predict the Reaction Profiles for Hydrogenation of Small Li Clusters?

Quantum computing leverages the principles of quantum mechanics in novel ways to tackle complex chemistry problems that cannot be accurately addressed using traditional quantum chemistry methods. However, the high computational cost and available number of physical qubits with high fidelity limit its application to small chemical systems. This work employed a quantum-classical framework which features a quantum active space-embedding approach to perform simulations of chemical reactions that require up to 14 qubits. This framework was applied to prototypical example metal hydrogenation reactions: the coupling between hydrogen and Li 2 , Li 3 , and Li 4 clusters. Particular attention was paid to the computation of barriers and reaction energies. The predicted reaction profiles compare well with advanced classical quantum chemistry methods, demonstrating the potential of the quantum embedding algorithm to map out reaction profiles of realistic gas-phase chemical reactions to ascertain qualitative energetic trends. Additionally, the predicted potential energy curves provide a benchmark to compare against both current and future quantum embedding approaches.

36 MATERIALS SCIENCE↗
NASA NTRS2018

Challenges and Opportunities in Gen3 Embedded Cooling with High-Quality Microgap Flow

Gen3, Embedded Cooling, promises to revolutionize thermal management of advanced microelectronic systems by eliminating the sequential conductive and interfacial thermal resistances which dominate the present 'remote cooling' paradigm. Single-phase interchip microfluidic flow with high thermal conductivity chips and substrates has been used successfully to cool single transistors dissipating more than 40kW/sq cm, but efficient heat removal from transistor arrays, larger chips, and chip stacks operating at these prodigious heat fluxes would require the use of high vapor fraction (quality), two-phase cooling in intra- and inter-chip microgap channels. The motivation, as well as the challenges and opportunities associated with evaporative embedded cooling in realistic form factors, is the focus of this paper. The paper will begin with a brief review of the history of thermal packaging, reflecting the 70-year 'inward migration' of cooling technology from the computer-room, to the rack, and then to the single chip and multichip module with 'remote' or attached air- and liquid-cooled coldplates. Discussion of the limitations of this approach and recent results from single-phase embedded cooling will follow. This will set the stage for discussion of the development challenges associated with application of this Gen3 thermal management paradigm to commercial semiconductor hardware, including dealing with the effects of channel length, orientation, and manifold-driven centrifugal acceleration on the governing behavior.

microchannel↗
NASA NTRSDate not supplied

A Temporal Differential Dynamic Logic Formal Embedding

Differential dynamic logic is a formal framework to specify and reason about hybrid programs (HPs). The core of dL is a proof calculus that contains a collection of axioms and rules for the rigorous verification of properties of HPs. Recently, dL has been embedded within the theorem prover Prototype Verification System (PVS) resulting in the tool Plaidypvs2. The integration of dL into PVS expands its expressive power; user defined functions, such as trigonometric and other transcendental functions, can be used inside the dL framework, and meta-reasoning about HPs can be performed, including reasoning about entire classes of HPs, specified using dependent types in PVS. The differential temporal dynamic logic (dTL2) extends dL with temporal logic operators to reason about all the states reachable during the execution of an HP. This paper presents a work in progress focusing on embedding dTL2 in PVS as an extension of Plaidypvs. Plaidypvs is expanded with the formalization of a trace semantics for HPs, the definition of the LTL temporal operators eventually and globally, and the implementation of the proof calculus for dTL2. This new embedding has the same capabilties as Plaidypvs, which allows user defined functions and meta-reasoning of properties of HPs. To the best of the authors’ knowledge this is the first implementation of dTL2.

differential dynamic logic↗
DOE OSTI2013

Adiabatic Quantum Programming: Minor Embedding With Hard Faults

Adiabatic quantum programming defines the time-dependent mapping of a quantum algorithm into the hardware or logical fabric. An essential programming step is the embedding of problem-specific information into the logical fabric to define the quantum computational transformation. We present algorithms for embedding arbitrary instances of the adiabatic quantum optimization algorithm into a square lattice of specialized unit cells. Our methods are shown to be extensible in fabric growth, linear in time, and quadratic in logical footprint. In addition, we provide methods for accommodating hard faults in the logical fabric without invoking approximations to the original problem. These hard fault-tolerant embedding algorithms are expected to prove useful for benchmarking the adiabatic quantum optimization algorithm on existing quantum logical hardware. We illustrate this versatility through numerical studies of embeddabilty versus hard fault rates in square lattices of complete bipartite unit cells.

graph theory↗
DOE OSTI2023

Distributed Embedded Energy Converter Technologies (DEEC-Tec)

Distributed Embedded Energy Converter Technologies (also known as DEEC-Tec) is based upon the amalgamation and combining of numerous, relatively small, distributed embedded energy converters (DEECs) that, in aggregate, can form a larger overall energy harvesting-converting structure. Such DEEC-Tec based structures can be employed to harvest and convert marine renewable energy - e.g., ocean waves - into more desirable forms such as electricity. In this way, the DEEC-Tec hierarchy can be viewed via three different technology levels: (1) individual distributed embedded energy converters, (2) DEEC-Tec metamaterials (pseudo-materials made from the interconnection of many DEECs), and (3) DEEC-Tec-based marine energy converters built from DEEC-Tec metamaterials.

BFSF↗
DOE OSTI2024

Embedded Fiber Optic Sensors in Structural Materials for Sensing in Extreme Environments

This slide deck presents the research results in embedding fiber optic sensors in structural materials. Fiber optic sensors were embedded in stainless steel and nickel via electric field assisted sintering. The embedded sensors were evaluated in terms of fiber integrity, fiber-matrix bonding, fiber functionality, mechanical properties, and machinability.

36 - MATERIALS SCIENCE↗
DOE OSTI2012

Complex Retrieval of Embedded IVC Filters: Alternative Techniques and Histologic Tissue Analysis

Purpose: We evaluated the safety and effectiveness of alternative endovascular methods to retrieve embedded optional and permanent filters in order to manage or reduce risk of long-term complications from implantation. Histologic tissue analysis was performed to elucidate the pathologic effects of chronic filter implantation. Methods: We studied the safety and effectiveness of alternative endovascular methods for removing embedded inferior vena cava (IVC) filters in 10 consecutive patients over 12 months. Indications for retrieval were symptomatic chronic IVC occlusion, caval and aortic perforation, and/or acute PE (pulmonary embolism) from filter-related thrombus. Retrieval was also performed to reduce risk of complications from long-term filter implantation and to eliminate the need for lifelong anticoagulation. All retrieved specimens were sent for histologic analysis. Results: Retrieval was successful in all 10 patients. Filter types and implantation times were as follows: one Venatech (1,495 days), one Simon-Nitinol (1,485 days), one Optease (300 days), one G2 (416 days), five Guenther-Tulip (GTF; mean 606 days, range 154-1,010 days), and one Celect (124 days). There were no procedural complications or adverse events at a mean follow-up of 304 days after removal (range 196-529 days). Histology revealed scant native intima surrounded by a predominance of neointimal hyperplasia and dense fibrosis in all specimens. Histologic evidence of photothermal tissue ablation was confirmed in three laser-treated specimens. Conclusion: Complex retrieval methods can now be used in select patients to safely remove embedded optional and permanent IVC filters previously considered irretrievable. Neointimal hyperplasia and dense fibrosis are the major components that must be separated to achieve successful retrieval of chronic filter implants.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2024

Distributed strain sensing using Bi-metallic coated fiber optic sensors embedded in stainless steel

Silica fiber optic sensors are resistant to corrosive environments and high temperatures, making them attractive candidates for harsh conditions found in nuclear and aerospace industries. Moreover, fibers can be deployed remotely for continuous measuring of spatially distributed temperatures and strains. Here, this study investigated embedding a Ni/Cu bi-metallic coated fiber in a stainless-steel 316 (SS316) matrix using laser powder bed fusion towards functionalizing metal components for site-specific health monitoring. The embedded fiber was continuously interrogated during controlled heating to 1000°C. The measured fiber strains were similar to the expected differential thermal strains between the fiber and the SS316 matrix, until divergent behavior was observed at temperatures >500°C. No debonding at the matrix–coating–fiber interfaces was observed during microscopy, but significant interactions between the coatings and matrix resulted in diffusion-driven chemistry variations and Kirkendall void formation. Applying the strain-lag theory revealed plastic behavior in the Ni coating at temperatures >500°C, limiting the strain transfer to the fiber at higher temperatures. It was estimated that the elastic modulus in the Ni coating had decreased from ~200 GPa at room temperature to below 40 GPa, starting at 600°C. The low elastic modulus above 600°C is within the margin of what the tangent modulus would be in the case of bilinear isotropic hardening. Regardless of the divergent strain transfer at higher temperatures, the fiber was exposed to the equivalent of 1.9 % engineering strain at 1000°C, but measured only a 0.7 % engineering strain due to the poor strain transfer. Although compensating for the plastic behavior of Ni proved challenging, the bonding of a brittle silica fiber to a metal matrix surviving to 1000°C invites potential iterations on coating material for future application. For example, the embedded fiber is sufficient for acoustic energy transfer, realizing high temperature distributed acoustic sensing.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Reaction mechanism, rate constants, and product yields for the oxidation of embedded five-member ring radicals with atomic oxygen

Oxidation mechanism of an embedded five-member ring on a surface of a carbonaceous particle with atomic oxygen has been studied employing G3(MP2,CC)//B3LYP/6-311G* potential energy surface calculations for C 15 H 9 + O reactions. Temperature- and pressure-dependent reaction rate constants have been evaluated using the RRKM – Master Equation approach. The mechanism involves barrierless oxygen atom addition to a carbon atom on a free edge of a five-member ring followed by migration of the H atom from the attacked C atom to an ortho position followed by the five-member ring opening and elimination of the CO group, with the five-member ring being fully destroyed. When the embedded ring has three common sides with surrounding six-member rings and one free-edge carbon atom, the only product is the 4-phenanthrenyl radical. Finally, when the embedded ring has two common sides with the six-member rings and two free-edge C atoms, two different decarbonylation products possessing a phenalene core can be formed depending on the direction of the 1,2-H shift.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

The use of discrete harmonics in direct multi-scale embedding of polycrystal plasticity

In this work, we describe an approach for directly embedding polycrystal plasticity models in component scale calculations, with an emphasis on computational tractability. Previously, we have employed adaptive sampling to mitigate the computational cost of direct embedding, achieving two or more orders of magnitude in wall-clock speedup compared to more traditional approaches. However, in our previous work the crystal orientation distribution function (crystallographic texture) was not allowed to evolve significantly. Here we discuss an approach that allows for evolving texture by employing discrete harmonics, effectively decoupling considerations related to accuracy of integrals in the homogenization from those related to adequate representation of the evolving texture. We discuss the basic behaviors and convergence of the new polycrystal plasticity framework. Specific applications focus on the deformation of titanium, including the effects of twinning. Overall, the discrete harmonic based framework offers an attractive path forward for computationally efficient multi-scale embedding of polycrystal plasticity.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Embedded smoothed particle hydrodynamics

In this paper, a hybrid method for embedding a meshfree smoothed particle hydrodynamics into mesh-based ALE hydro schemes is presented. The method relies on the embedded mesh framework presented in Puso et al. (2015, 2012) and utilizes SPH (Owen, 2010) in the solid foreground; when an appropriate damage or failure model is used with SPH, it becomes a natural way to model material fracture and cracking in high-explosive driven experiments. Overall, we provide various examples which validate the coupling between SPH and the embedded mesh method.

42 ENGINEERING↗
DOE OSTI2020

An embedded 3D fracture modeling approach for simulating fracture-dominated fluid flow and heat transfer in geothermal reservoirs

In this paper, we describe an efficient modeling approach, named embedded discrete fracture method (EDFM), for incorporating arbitrary 3D, discrete fractures, such as hydraulic fractures or faults, into modeling fracture-dominated fluid flow and heat transfer in fractured geothermal reservoirs. This technique allows 3D discrete fractures to be discretized independently from surrounding rock volume and inserted explicitly into a primary fracture/matrix grid, generated without including 3D discrete fractures in prior. An effective computational algorithm is developed to discretize these 3D discrete fractures and construct local connections between 3D fractures and fracture/matrix grid blocks representing the surrounding rock volume. The constructed gridding information on 3D fractures is then added to the primary grid. This embedded fracture modeling approach can be directly implemented into a developed geothermal reservoir simulator via the integral finite difference (IFD) method or with TOUGH2 technology. This embedded fracture modeling approach is very promising and computationally efficient to handle realistic 3D discrete fractures with complicated geometries, connections, and spatial distributions. Compared with other fracture modeling approaches, it avoids cumbersome 3D unstructured, local refining procedures, and increases computational efficiency by simplifying Jacobian matrix size and sparsity, while maintaining enough accuracy. Several numeral simulations are presented to demonstrate the utility and robustness of the proposed technique. Our numerical experiments show that this approach captures all the key patterns about fluid flow and heat transfer dominated by fractures in these cases. Thus, this approach is readily available to the simulation of fractured geothermal reservoirs with both artificial and natural fractures.

15 GEOTHERMAL ENERGY↗
DOE OSTI2015

Exponential time-differencing with embedded Runge–Kutta adaptive step control

We have presented the first embedded Runge–Kutta exponential time-differencing (RKETD) methods of fourth order with third order embedding and fifth order with third order embedding for non-Rosenbrock type nonlinear systems. A procedure for constructing RKETD methods that accounts for both order conditions and stability is outlined. In our stability analysis, the fast time scale is represented by a full linear operator in contrast to particular scalar cases considered before. An effective time-stepping strategy based on reducing both ETD function evaluations and rejected steps is described. Comparisons of performance with adaptive-stepping integrating factor (IF) are carried out on a set of canonical partial differential equations: the shock-fronts of Burgers equation, interacting KdV solitons, KS controlled chaos, and critical collapse of two-dimensional NLS.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Two-solvent method synthesis of SnO{sub 2} nanoparticles embedded in SBA-15: Gas-sensing and photocatalytic properties study

Graphical abstract: Different loadings of SnO{sub 2} nanoparticles embedded in mesoporous silica (sample S1, S2 and S3) show higher response to H{sub 2} at lower operating temperature than pure SnO{sub 2} nanoparticles. - Highlights: • Two-solvent method is firstly used to synthesize SnO{sub 2} nanoparticles embedded in mesoporous silica (SBA-15). • The SnO{sub 2}/SBA-15 nanocomposites show higher response to H{sub 2} at lower operating temperature than pure SnO{sub 2} nanoparticles. • The SnO{sub 2}/SBA-15 nanocomposites have higher photodegradation ability toward methylene blue than pure SnO{sub 2} nanoparticles. - Abstract: Different loadings of SnO{sub 2} nanoparticles embedded in mesoporous silica (SBA-15) were prepared via a two-solvent method with the ordered hexagonal mesoporous structure of SBA-15 kept. X-ray diffraction, transmission electron microscope, X-ray photoelectron spectroscopy and N{sub 2} adsorption porosimetry were employed to characterize the nanocomposites. Compared with pure SnO{sub 2} nanoparticles, the SnO{sub 2}/SBA-15 nanocomposites show higher response to H{sub 2} at lower operating temperature. The photocatalytic activity of as-prepared SnO{sub 2}/SBA-15 for degradation of methylene blue was investigated under UV light irradiation and the results show that the SnO{sub 2}/SBA-15 nanocomposites have higher photodegradation ability toward methylene blue than pure SnO{sub 2} nanoparticles.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Transfer Learning Meets Embedded Correlated Wavefunction Theory for Chemically Accurate Molecular Simulations: Application to Calcium Carbonate Ion Pairing

Achieving chemical accuracy for molecular simulations remains a central challenge in computational chemistry. Here, we present an embedded correlated wavefunction transfer learning (ECW-TL) framework for accurately simulating molecular dynamics in the condensed phase. ECW-TL incorporates high-level electron exchange and correlation effects in ECW theory while preserving the training and computational efficiency of machine-learned interatomic potentials. We demonstrate the framework on Ca 2+ –CO 3 2– ion pairing in aqueous solution, a key process underlying CO 2 mineralization in seawater. As proof of principle, we first show that fine-tuning a DFT-revPBE-D3(BJ) baseline model with embedded-DFT-SCAN data reproduces the DFT-SCAN free-energy surface within 1 kcal/mol across all solvation states. Extending the framework to embedded MP2 and localized natural-orbital CCSD(T) further refines the free-energy profile, revealing the crucial role of exact electron exchange and correlation in determining ion-pair stability and structure. The computed ion-pair association free energy is in quantitative agreement with experimental measurements, further validating the accuracy of the ECW-TL framework. ECW-TL thus provides a general, data-efficient route for transferring CW accuracy to efficient simulations of complex aqueous and interfacial chemical processes.

cluster chemistry↗
DOE OSTI2019

Local Embedding and Effective Downfolding in the Auxiliary-Field Quantum Monte Carlo Method

A local embedding and effective downfolding scheme has been developed and implemented in the auxiliary-field quantum Monte Carlo (AFQMC) method. A local cluster in which electrons are fully correlated is defined, and the frozen orbital method is used on the remainder of the system to construct an effective Hamiltonian, which operates within the local cluster. Local embedding, which involves only the occupied sector, has previously been employed in the context of Co/graphene. Here, the methodology is extended in order to allow for effective downfolding of the virtual sector, thus allowing for significant reduction in the computational effort required for AFQMC calculations. The system size, which can be feasibly treated with AFQMC, is therefore greatly extended as only a single local cluster is explicitly correlated at the AFQMC level of theory. The approximation is controlled by the separate choice of the spatial size of the active occupied region (Ro) and of the active virtual region (Rv). In conclusion, the systematic dependence of the AFQMC energy on Ro and Rv is investigated, and it is found that relative AFQMC energies of physical and chemical interest converge rapidly to the full AFQMC treatment (i.e., using no embedding or downfolding).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗