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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Percutaneous Orthotopic IVC Construction in a Pediatric Patient with Symptomatic IVC Agenesis

Inferior vena cava agenesis is an uncommon condition usually attributed to embryologic dysgenesis. When symptomatic, unprovoked deep venous thrombosis and/or lower extremity venous congestion are the most frequent manifestations. Its rarity has precluded consensus regarding appropriate management. Symptomatic chronic venous congestion requires surgical construction of auxiliary venous pathways, which may involve substantial morbidity, prolonged recovery and extensive scarring. We report successful minimally invasive management via percutaneous endovascular orthotopic inferior vena cava construction in a pediatric patient, thereby obviating the need for surgery and its associated morbidity. Level of Evidence: Level IV, case study.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Construction and Investigation of the Third-Order Approximation to the Solution of the Heat-Conduction Equation for Thin Shallow Shells by Using Legendre Polynomials in the Case of Stationary Heat Exchange

By using the N th order approximation of temperature function and its first derivative by Legendre polynomials, we construct the solution of problem of heat conduction for a thin-walled shallow isotropic shell and deduce the system of resolving equations for the N th approximation. For the first and third approximations, we solve this problem for the case of concentrated heat sources. In the third approximation, we also construct the plots of the dependences of temperature on the distance to the heat source and on the curvature of the shell under the conditions of symmetric or asymmetric stationary heat exchange.

42 ENGINEERING↗
DOE OSTI2018

Construction of a Cyclic Extension of Degree p{sup 2} for a Complete Field

The aim of the paper is to construct an embedding of a given cyclic extension of degree p of a complete discrete valuation field of characteristic 0 with an arbitrary residue field of characteristic p > 0 into a cyclic extension of degree p{sup 2}. The result extends the construction obtained by S. V. Vostokov and I. B. Zhukov in terms of Witt vectors, to a wider interval of values for the ramification jump of the original field extension.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

On Construction of Anticliques for Noncommutative Operator Graphs

In this paper, we construct anticliques for noncommutative operator graphs generated by generalized Pauli matrices. It is shown that application of entangled states for the construction of the code space K allows one to substantially increase the dimension of a noncommutative operator graph for which the projection on K is an anticlique.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Generalization of the Cauchy–Poisson Method and the Construction of Timoshenko-Type Equations

We consider a generalization of the Cauchy–Poisson method to the n-dimensional Euclidean space and its application to the construction of hyperbolic approximations. The presented investigation generalizes and supplements the results obtained earlier. In the Euclidean space, we introduce certain restrictions for the derivatives. The principle of hyperbolic degeneracy in terms of parameters is formulated and its realization in the form of necessary and sufficient conditions is presented. In a special case of fourdimensional space (in which the operators are preserved up to the sixth order), we obtain a generalized hyperbolic equation for the bending vibrations of plates with coefficients that depend only on the Poisson ratio. This equation includes, as special cases, the well-known Bernoulli–Euler, Kirchhoff, Rayleigh, and Timoshenko equations. As the development of Maxwell's and Einstein's investigations of the propagation of perturbations with finite velocity in continuous media, we can mention the nontrivial construction of Timoshenko’s equation for the bending vibrations of a beam.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Cluster Method of Constructing Bethe Approximation for the Ising Model of a Dilute Magnet

The paper offers an interpretation of Bethe approximation based on comparison of spin clusters of different sizes on the Cayley tree. Based on this interpretation, the authors suggested the method to construct Bethe approximation for the node- or bond-diluted Ising magnet. The method provides an accurate value of the percolation threshold for the Bethe lattice. For different variations of this method, the authors constructed spontaneous magnetizations at zero and final temperatures as a function of concentration of magnetic atoms and found an analytical expression for the critical indicator of the correlation length.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

In-situ construction of ceria-metal/titanate heterostructure with controllable architectures for efficient fuel electrochemical conversion

Construction of ceria-metal/titanate heterostructure via exsolution is a promising strategy to improve the catalytic activity of titanate perovskites and broaden their applications in various energy conversion scenarios. However, the species exsolved after reduction are limited to reducible metal cations, such as Ni, Co, Fe, and precious metals. Herein, we report a modified exsolution approach for co-exsolving active oxides and metal nanoparticles from a titanate perovskite, La 0.8 Ce 0.1 Ni 0.4 Ti 0.6 O 3-δ (LCeNT). We highlight strained facet-specific CeO 2 cubes can be grown on the support after an air-annealing process with their morphology tunable by varying annealing temperature, whilst exsolution of Ni nanoparticles form subsequently following chemical/electrical reduction. An electrolyte-supported SOFC utilizing CeO 2 -Ni@LCeNT anode achieves maximum power density of 642 mW cm -2 at 900 °C in H 2 (~3% H 2 O). Exceptional robustness of the heterostructure is illustrated after running the cell in CH 4 (~3% H 2 O) for 20 h. Here this work demonstrates an intriguing pathway to constructing stable and active ceria-metal/titanate heterostructure for energy applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Peridynamic elastic waves in two-dimensional unbounded domains: Construction of nonlocal Dirichlet-type absorbing boundary conditions

The focus of this paper is on application of peridynamics (PD) to propagation of elastic waves in unbounded domains. We construct absorbing boundary conditions (ABCs) derived from a semi-analytical solution of the PD governing equation at the exterior region. This solution is made up of a finite series of plane waves, as fundamental solutions (modes), which satisfy the PD dispersion relations. The modes are adjusted to transmit the energy from the interior region (near field) to the exterior region (far field). The corresponding unknown coefficients of the series are found in terms of the displacement field at a layer of points adjacent to the absorbing boundary. This is accomplished through a collocation procedure at subregions (clouds) around each absorbing point. The proposed ABCs offer appealing advantages, which facilitate their application to PD. They are of Dirichlet-type, hence their implementation is relatively simple as no derivatives of the field variables are required. They are constructed in the time and space domains and thus application of Fourier and Laplace transforms, cumbersome for nonlocal models, is not required. At the discrete level, the modes satisfy the same numerical dispersion relations of the near field, which makes the far-field solution compatible with that of the near field. We scrutinize the performance of the proposed ABCs through several examples. So our investigation shows that the proposed ABCs perform stably in time with an appropriate level of accuracy even in problems characterized by highly-dispersive propagating waves, including crack propagation in semi-unbounded brittle solids.

42 ENGINEERING↗
DOE OSTI2025

Bayesian prior construction for uncertainty quantification in first-principles statistical mechanics

First-principles statistical mechanics enables the prediction of thermodynamic and kinetic properties of materials, but is computationally expensive. Many approaches require surrogate models to calculate energies within Monte Carlo or molecular dynamics simulations. Inexpensive surrogates such as cluster expansions enable otherwise intractable calculations by interpolating data from higher accuracy methods, such as Density Functional Theory (DFT). Surrogate models introduce uncertainty into downstream calculations, in addition to any uncertainty inherent to DFT calculations. Bayesian frameworks address this by quantifying uncertainty and incorporating expert knowledge through priors. However, constructing effective priors remains challenging. This work introduces and describes practical strategies for building Bayesian cluster expansions, focusing on basis truncation, hyperparameter selection, and ground state replication. We analyze multiple basis truncation schemes, compare cross-validation to the evidence-approximation for hyperparameter optimization, and provide methods to find and enforce ground-state-preserving models through priors. Additionally, we compare the uncertainties between different approximations to DFT (LDA, PBE, SCAN) against the uncertainty introduced with the use of cluster expansion surrogate models. These approaches are demonstrated on the BCC Li x Mg 1-x and Li x Al 1-x alloys, which are both of interest for solid-state Li batteries. Our results provide guidelines for constructing and utilizing Bayesian cluster expansions, thereby improving the transparency of materials modeling. Furthermore, the approaches and insights developed in this work can be transferred to a wide range of cluster expansion surrogate models, including the atomic cluster expansion and related machine-learned interatomic potential architectures.

Alloy theory↗
DOE OSTI2025

Global warming potential estimates of mass timber constructions beyond the first life: A dynamic radiative forcing modeling approach

In the face of a warming planet, steps must be taken to reduce the greenhouse gas emissions (GHG) associated with our building industry, which is a significant contributor to global emissions. Large, prefabricated wood elements such as mass timber panels (MTP) have great potential to achieve these reductions as they help displace high-embodied‑carbon materials like concrete and steel. Furthermore, storing the wood's biogenic carbon in buildings benefits the climate because it delays the eventual release of the carbon into the atmosphere. While these climate impacts have been assessed for the construction phase of mass timber buildings, relatively few life cycle assessment (LCA) studies have evaluated the climate impacts for the buildings' end-of-life (EOL) phase. This research estimates the climate impacts of four EOL scenarios for MTP: reusing as MTP, recycling into particleboard, incinerating, and landfilling. Using dynamic radiative forcing modeling and factoring in temporal GHG emissions and biogenic carbon storage, the global warming potential impacts are calculated for construction, deconstruction, and EOL processing of hybrid mass timber buildings in the U.S. Pacific Northwest for 160 years (GWP 160 ). The 160-year temporal scale used in this paper is an arbitrary scale, with the first 80 years being the assumed life of the building, followed by a series of reuse, recycle, or disposal scenarios over the second 80 years of that temporal scale. Of the four EOL scenarios considered in this paper, the ‘reuse’ scenario has the lowest net GWP 160 impact (calculated by summing the GWP 160 and carbon storage benefits, i.e., GWP$^{bioCS}_{160}$ ), emerging as a climate-preferred scenario, followed by ‘landfill’, ‘incinerate’, and ‘recycle’ scenarios. The lower net GWP 160 impact associated with the reuse scenario is due to the low fossil carbon emissions during EOL processing, as well as the biogenic carbon storage benefits. The results of this study also highlight the importance of efficient reuse and recycling strategies for wood in MTP.

42 ENGINEERING↗
DOE OSTI2025

Construction of 3D MHD pressure drop correlation and flow characterization in the contraction region of a fusion blanket manifold

Inlet and outlet manifolds are typical components of liquid metal (LM) blanket designs of a fusion power reactor to be used to distribute the LM flow into breeding channels and collect it at the exit of the blanket. High pressure loss in the magnetohydrodynamic (MHD) flows featuring abrupt geometrical changes is one of the main feasibility issues of such designs. Recently, optimization studies were conducted to construct 3D MHD pressure drop correlations for a LM flow in an electrically insulating manifold with gradual expansion. Here, the 3D computational approach developed in that study is applied to the outlet manifold featuring gradual contraction. A systematic analysis was performed with a total number of 135 flow cases computed with COMSOL Multiphysics for Hartmann numbers 1000 < Ha < 10,000, Reynolds numbers 100 < Re < 12,000, and contraction angles 45° < θ < 75° for a fixed contraction ratio of 4. The effects of Ha, Re and θ on the flow recirculation, development length and the total pressure drop were carefully examined. A linear regression analysis was used to determine the power rule of pressure drop coefficient k related to Ha and Re, demonstrating a good match with the Ludford layer theory. Eventually, a correlation for the 3D MHD pressure drop coefficient was constructed as a function of Ha, Re and θ. Further, the results were compared against the inlet manifold. It was found that the flow in the inlet manifold exhibits larger recirculation zones. In the investigated range of Ha, Re and θ, the pressure drop coefficient k of the LM MHD flow in the gradual contraction is only slightly lower (< 8 %) than that in the gradual expansion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Measuring changes in environmental radiological background from construction of an advanced nuclear reactor testing facility

We present a method to survey and track changes in the environmental radiological background during the construction and operation of advanced nuclear reactor facilities. We discuss the results of two surveys of the environmental gamma-radiation background at NEXT Lab, an advanced nuclear reactor research facility on the campus of Abilene Christian University, prior to the introduction of radioactive material. In both surveys, the observed radiation dosage rates are low, with the highest rates at 15% of the average total radiation dosage rate for the United States. We observe ≈20% changes in the radiological background of the property in locations where the environment was changed by construction and ≈20% variations within the facilities correlated with variations in building materials.

Environment↗
DOE OSTI2024

Structure and Interactions of HIV-1 gp41 CHR-NHR Reverse Hairpin Constructs Reveal Molecular Determinants of Antiviral Activity

Engineered reverse hairpin constructs containing a partial C-heptad repeat (CHR) sequence followed by a short loop and full-length N-heptad repeat (NHR) were previously shown to form trimers in solution and to be nanomolar inhibitors of HIV-1 Env mediated fusion. Their target is the in situ gp41 fusion intermediate, and they have similar potency to other previously reported NHR trimers. However, their design implies that the NHR is partially covered by CHR, which would be expected to limit potency. An exposed hydrophobic pocket in the folded structure may be sufficient to confer the observed potency, or they may exist in a partially unfolded state exposing full length NHR. Here, in this study, we examined their structure by crystallography, CD and fluorescence, establishing that the proteins are folded hairpins both in crystal form and in solution. We examined unfolding in the milieu of the fusion reaction by conducting experiments in the presence of a membrane mimetic solvent and by engineering a disulfide bond into the structure to prevent partial unfolding. We further examined the role of the hydrophobic pocket, using a hairpin-small molecule adduct that occluded the pocket, as confirmed by X-ray footprinting. The results demonstrated that the NHR region nominally covered by CHR in the engineered constructs and the hydrophobic pocket region that is exposed by design were both essential for nanomolar potency and that interaction with membrane is likely to play a role in promoting the required inhibitor structure. The design concepts can be applied to other Class 1 viral fusion proteins.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Nuclear physics without high-momentum potentials: Constructing the nuclear effective interaction directly from scattering observables

The traditional approach to nuclear physics encodes phase shift information in a nucleon-nucleon (NN) potential, producing a nucleon-level interaction that captures the sub-GeV consequences of QCD. A further reduction to the nuclear scale is needed to produce an effective interaction for soft Hilbert spaces, such as those employed in the shell model. Here we describe an alternative construction of the effective interaction that is simple and quite precise, proceeding from the QCD scale directly to the nuclear scale. This eliminates the need for constructing and renormalizing the high-momentum NN potential. Instead, continuum phase shifts and mixing angles are used directly at the nuclear scale. The method exploits the analytic continuity in energy of HOBET (Harmonic-Oscillator-Based Effective Theory) to connect bound states to continuum solutions at specific energies. The procedure is systematic, cutoff independent, and convergent, yielding keV accuracy at NNLO or N 3 LO, depending on the channel. Lepage plots are provided.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Direct construction of optimized stellarator shapes. Part 2. Numerical quasisymmetric solutions

Quasisymmetric stellarators are appealing intellectually and as fusion reactor candidates since the guiding-centre particle trajectories and neoclassical transport are isomorphic to those in a tokamak, implying good confinement. Previously, quasisymmetric magnetic fields have been identified by applying black-box optimization algorithms to minimize symmetry-breaking Fourier modes of the field strength $B$ . Here, instead, we directly construct magnetic fields in cylindrical coordinates that are quasisymmetric to leading order in the distance from the magnetic axis, without using optimization. The approach involves solution of a one-dimensional nonlinear ordinary differential equation, originally derived by Garren & Boozer ( Phys. Fluids B, vol. 3, 1991, p. 2805). We illustrate the usefulness and accuracy of this optimization-free approach by providing the results of this construction as input to the codes VMEC and BOOZ_XFORM, confirming the purity and scaling of the magnetic spectrum. The space of magnetic fields that are quasisymmetric to this order is parameterized by the magnetic axis shape along with three other real numbers, one of which reflects the on-axis toroidal current density, and another one of which is zero for stellarator symmetry. The method here could be used to generate good initial conditions for conventional optimization, and its speed enables exhaustive searches of parameter space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Direct construction of optimized stellarator shapes. Part 3. Omnigenity near the magnetic axis

>The condition of omnigenity is investigated, and applied to the near-axis expansion of Garren & Boozer ( Phys. Fluids B, vol. 3 (10), 1991 a , pp. 2805–2821). Due in part to the particular analyticity requirements of the near-axis expansion, we find that, excluding quasi-symmetric solutions, only one type of omnigenity, namely quasi-isodynamicity, can be satisfied at first order in the distance from the magnetic axis. Our construction provides a parameterization of the space of such solutions, and the cylindrical reformulation and numerical method of Landreman & Sengupta ( J. Plasma Phys. , vol. 84 (6), 2018, 905840616); Landreman et al. ( J. Plasma Phys. , vol. 85 (1), 2019, 905850103), enables their efficient numerical construction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Modified Winterbottom Construction Including Boundaries

There has been extensive work on the equilibrium shape of isolated nanoparticles with internal boundaries, and also single crystals on substrates. Surprisingly, almost shockingly, there has been very little work on the equilibrium shape of particles with internal boundaries on substrates. Here in this paper, the general solution is given for the configuration of particles which contain twin and other grain boundaries on a flat substrate, which can be applied to any polycrystalline or multiphase nanoparticle configuration. The solution is based upon combining the established modified-Wulff construction that has been extensively validated for twinned particles with the Winterbottom construction for single particles on a substrate. The solution is illustrated for the specific case of five-fold multiply twinned particles. Good agreement is observed between both existing experimental data in the literature as well as some experimental data included within this work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Structural Insight into a Sixteen Cyanine Dye Construct via Exciton–Exciton Annihilation

Molecular (dye) aggregates play a prominent role in light harvesting and are of interest in quantum information science; however, there are limited reports hat programmably assemble many (>4) dye aggregates featuring strong coupling and exciton delocalization. Using oligonucleotides with four Cy5s covalently linked in series along the phosphate backbone, we bring four, eight, and sixteen Cy5s in close proximity by assembling four-armed junctions. We elucidate their structure via gel electrophoresis and steady-state and transient optical spectroscopy. We find that Cy5 has a strong propensity to form tetramer clusters, where the exciton is delocalized over all four Cy5s, that the exciton is not delocalized beyond tetramer clusters in the eight and sixteen Cy5 constructs, and that the sixteen Cy5 construct may consist of pairs of tetramer clusters that are isolated from one another. Many-dye aggregates such as these may serve useful as antennae for their intense light absorption and spatially directed energy transfer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗