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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Higher-order interaction effects among operating conditions and feedstocks shape reactor microbiomes and fatty acid production profiles

Arrested anaerobic digestion (AAD) offers a promising route for producing fatty acids (FAs) from organic residues, yet optimal conditions for selectively generating medium-chain fatty acids (MCFAs) remain poorly defined. Here, we systematically evaluated the main and interaction effects of pH (5, 7, 9), feedstock (food waste, manure), temperature (35 and 45 °C), and inoculum source on microbiome composition and FA production. Anaerobic digester sludge and a novel bison rumen inoculum were compared. Significant higher-order interactions among operating parameters governed FA profiles and microbiome structure. Butyric acid production was driven by a three-way interaction among pH, feedstock, and temperature (p < 0.001), with maximum concentrations achieved in food waste reactors at pH 5.0 and 35 °C (1.2 ± 0.1 g L −1 with sludge and 1.1 ± 0.3 g L −1 with rumen). MCFA production exhibited significant four-way interactions (p < 0.1 to p < 0.001). At 45 °C and pH 5.0, inoculum source tuned MCFA selectivity: sludge favored pentanoic acid (0.4 ± 0.1 g L −1 ), whereas rumen favored hexanoic and heptanoic acids (up to 0.4 ± 0.2 g L −1 ). Manure reactors produced < 0.2 g L −1 MCFAs under all conditions. Genera, including Megasphaera, Prevotella, and Lactobacillus, were associated with production of specific MCFAs. PICRUSt2-based pathway predictions were consistent with MCFA production patterns and suggested a potential role for lactic acid–driven chain elongation pathways. This study provides insights into how interacting operating conditions shape AAD microbiomes, their FA profiles, and advances the trajectory of research aimed at engineering robust and controllable microbiomes for waste valorization.

09 BIOMASS FUELS↗
DOE OSTI2023

Aerodynamic Sensitivity of a Novel Data-Driven Airfoil Shape Representation Framework

We explore the aerodynamic implications of a novel data-driven separable shape tensor framework used to represent discrete airfoil shapes. In this study, we construct a data-driven parameter space defined by separable shape tensors and informed by tens of thousands of distinct airfoils. We use this design space to generate new airfoil designs to study parametric sensitivities with respect to various aerodynamic responses. We use a HAM2D RANS solver to approximate the lift, drag, and moment coefficients for the generated airfoils at two different angles-of-attack. We analyze the robustness and sensitivities of using the separable shape tensor design space by examining the coverage of the aerodynamic response space, uncovering low-dimensional polynomial ridge approximations, and computing various sensitivity metrics. The results show that the data-driven design space produce significant variation in target aerodynamic quantities and facilitate highly accurate approximations (R^2 > 0.96) of one- and two-dimensional structures in each aerodynamic response. This further reduces the effective dimension to enable simplified design and optimization tasks.

aerodynamics↗
DOE OSTI2018

Optimization of structural and energy characteristics of adsorbents for methane storage

Using numerical and analytical methods, a model for microporous carbon adsorbents with slit-shaped pores of different widths was developed. Such pores are formed during activation procedure by the removal of the hexagonal carbon layers burnt out in a graphite-like crystallites. Dubinin’s theory of volume filling of micropores was used to calculate methane adsorption equilibria on these model adsorbents. Isobaric dependences of methane adsorption on pore width, specific micropore volumes, and the specific surface were plotted in the range of pressures from 1 to 10 MPa. It was found that the isobaric adsorption curves had a maximum the position of which depends on both the structural-energy characteristics of the adsorbent and thermodynamic conditions chosen to operate the adsorption system. As pressure increased, the maximum of adsorption shifts to the porous systems with wider pores and larger micropore volume.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

A Grid Intensity Map-Based Source Model for Monte Carlo Modeling of IMRT Field Irradiation - Paper 5

An accurate source model is important for TPS (Treatment Planning System) dose calculation and verification, especially for IMRT (Intensity Modulated Radiotherapy) irregular and inhomogeneous fields. Monte Carlo simulation is the most accurate way to calculate dose distributions in the heterogeneous media like human bodies. A full radiotherapy modeling generally includes Linac modeling and phantom dose calculation. Full Linac modeling is very time-consuming and requires highly detailed knowledge of the accelerator composition and structure, however, which is very difficult to obtain for commercial interests. Often all relevant parameters are not known with sufficient accuracy, and thus a time-consuming tuning of e.g. the electron beam spot size and energy must be performed. A multiple source model (MSM) regards particles coming from different parts of an accelerator as if they are coming from different virtual sources. MSM uses a set of virtual sources representing the treatment beam (e.g. primary photons, head scatter, electron contamination) by a set of analytic functions or histograms with parameters derived from dosimetric measurements or a full MC simulation. Tillikainen et al built a three sub-source model by matching with measurement data using an automatic process to optimize the free model parameters for a Varian 2100 C/D accelerator. Lin et al have built a convenient five-photon-sub-source model for Varian 2300C 6 MV-X beam based on Monte Carlo simulated Linac for ARTS (Accurate Radiotherapy System). The particle generation of MSM is very fast compared to full Linac simulation, and its sampling efficiency is not limited by the size of the phase space file (PSF). However, generally MSM is generated based on regular field PSF and needs an irregular component to form the beam shape meanwhile apt to bringing error Linac modeling and MSM producing from PSF analysis actually both are multi-freedom optimization process by adjusting several parameters (e.g. electron energy and angular divergence). Linac modeling adjusts its parameters from the beginning of electron hitting target through all components to fit the simulation to the measurement. MSM tunes its PSF-derived parameters by optimizing to minimize the deviations between the simulation and the measurement. Since the full Linac modeling and the MSM model both need to fine tune their parameters to match the simulation to the measurement, and sometimes maybe offsets the real accelerator for its multi-parameter optimization process. So, why not fine tune directly all source model parameters just behind all Linac components to fit the simulation to the measurement? A grid intensity-based surface source model was suggested here, which assumed the particle emitting from the bottom surface of Linac last beam trimmer MLC (Multi Leaf Collimator). The particle emitting position is sampled on the grid intensity map optimized by TPS, and the particle weight is adjusted by its original grid intensity. This source model not only takes advantage of the Monte Carlo method in the heterogeneous media, but also avoids effectively the transportation speed shortcoming of Monte Carlo simulation through Linac components. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2016

Effective decolorization and adsorption of contaminant from industrial dye effluents using spherical surfaced magnetic (Fe{sub 3}O{sub 4}) nanoparticles

Treatment of highly concentrated Industrial dye stuff effluents released in the environment is the major issue faced in the era of waste management as well as in water pollution. Though there is availability of conventional techniques in large numbers, there is a need of efficient and effective advance technologies. In account of that, Nanotechnology plays a prominent role to treat the heavy metals, organic and inorganic contaminants using smart materials in nano regime (1 -100 nm). Among these nanomaterials like Iron Oxide (Fe{sub 3}O{sub 4}, magnetic nanoparticle) is one of the most promising candidates to remove the heavy metals from the industrial effluent. Fe{sub 3}O{sub 4} is the widely used smart material with magnetic property having high surface area; high surface to volume ratio provides more surface for the chemical reaction for the surface adsorption. Fe{sub 3}O{sub 4} nanoparticles have been synthesized using sonochemical method using ultra frequency in aqueous solution under optimized conditions. The as-synthesized nanoparticle was analyzed using different characterization tool. The Transmission Electron microscope (TEM) images revealed 10-12 nm spherical shape nanoparticles; crystal phase and surface morphology was confirmed by X-Ray Diffraction (XRD) and Scanning Electron Microscopy (SEM), respectively. The functional group were identified by Fourier Transform-Infra Red Spectroscopy (FT-IR), revealed the bending and stretching vibrations associated with Iron Oxide nanoparticle. In present study, for the efficient removal of contaminants, different concentration (10-50 ppm) of dye stuff effluent has been prepared and subjected to adsorption and decolourization at definite time intervals with Fe{sub 3}O{sub 4} nanoparticles. The concentration of Iron oxide and the time (45 mins) was kept fixed for the reaction whereas the concentration of dye stuff effluent was kept varying. It was found that the spherical shaped Fe{sub 3}O{sub 4} proved to be the potential material for the adsorption of corresponding contaminants due to its highly active adsorbing surfaces. The result concluded that the effective adsorption and decolourization of contaminants is observed in different concentration with the maximum time period of 45 mins with the optimized concentration of Fe{sub 3}O{sub 4}.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Constructing Convex Inner Approximations of Steady-State Security Regions

Here, we propose a scalable optimization framework for estimating convex inner approximations of the steady-state security sets. The framework is based on Brouwer fixed point theorem applied to a fixed-point form of the power flow equations. It establishes a certificate for the self-mapping of a polytope region constructed around a given feasible operating point. This certificate is based on the explicit bounds on the nonlinear terms that hold within the self-mapped polytope. The shape of the polytope is adapted to find the largest approximation of the steady-state security region. While the corresponding optimization problem is nonlinear and non-convex, every feasible solution found by local search defines a valid inner approximation. The number of variables scales linearly with the system size, and the general framework can naturally be applied to other nonlinear equations with affine dependence on inputs. Test cases, with the system sizes up to 1354 buses, are used to illustrate the scalability of the approach. The results show that the approximated regions are not unreasonably conservative and that they cover substantial fractions of the true steady-state security regions for most medium-sized test cases.

42 ENGINEERING↗
DOE OSTI2025

Optimization of edge bead removal (EBR) process to enhance defect reduction in optical lithography

Defect reduction remains a critical objective in the integrated circuit manufacturing process, particularly within the highly re-entrant lithography modules where minimizing defects is crucial. Defects at the wafer edge can contaminate lithography modules and downstream processing equipment, leading to redistribution onto the wafer surface and adversely affecting overall device yield. A persistent challenge in the resist coating process is the formation of resist edge beads, driven by the strong Van der Waals attraction of excess photoresist (PR) to itself and the underlying substrate. The edge bead removal (EBR) process is a standard cleaning step designed to eliminate these edge beads and prevent potential contamination. Here, in this study, we identify the sources of EBR induced defects and additional EBR process encroachment toward edge patterning during the EBR cleaning process. This study provides a comprehensive study aimed at optimizing the EBR cleaning process to effectively eliminate EBR-induced defects, thereby enhancing overall device yield. Specifically, we identify three primary defects induced by the EBR cleaning process: rainbow-type, finger-shaped, and teardrop-type defects. Our experimental study reveals that in addition to EBR rinse time, PR cast time is crucial parameters contributing to the formation of these defects. By properly optimizing the PR cast time and EBR rinse time, we were able to remove nearly 100 % of dense clusters of defects that were easily visible even at low magnification optical microscopy throughout the wafer edge. We observed that shorter PR casting times shows edge defects caused by inefficient EBR process because of insufficient time for PR to fully settle causing superfluous PR to continue flowing toward wafer edge during EBR clearing step, leading to partial removal of PR at the wafer edge and the formation of rainbow defects. Proper optimization of both PR casting time and EBR chemistries dispense time is essential to resolve these defects, ensuring efficient EBR cleaning process and improved overall device yield.

42 ENGINEERING↗
DOE OSTI2017

Development of ITER non-activation phase operation scenarios

Non-activation phase operations in ITER in hydrogen (H) and helium (He) will be important for commissioning of tokamak systems, such as diagnostics, heating and current drive (HCD) systems, coils and plasma control systems, and for validation of techniques necessary for establishing operations in DT. The assessment of feasible HCD schemes at various toroidal fields (2.65–5.3 T) has revealed that the previously applied assumptions need to be refined for the ITER non-activation phase H/He operations. A study of the ranges of plasma density and profile shape using the JINTRAC suite of codes has indicated that the hydrogen pellet fuelling into He plasmas should be utilized taking the optimization of IC power absorption, neutral beam shine-through density limit and H-mode access into account. The EPED1 estimation of the edge pedestal parameters has been extended to various H operation conditions, and the combined EPED1 and SOLPS estimation has provided guidance for modelling the edge pedestal in H/He operations. The availability of ITER HCD schemes, ranges of achievable plasma density and profile shape, and estimation of the edge pedestal parameters for H/He plasmas have been integrated into various time-dependent tokamak discharge simulations. In this paper, various H/He scenarios at a wide range of plasma current (7.5–15 MA) and field (2.65–5.3 T) have been developed for the ITER non-activation phase operation, and the sensitivity of the developed scenarios to the used assumptions has been investigated to provide guidance for further development.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

SU-E-T-353: Decoding the Beam Complexity in Intensity-Modulated Radiation Therapy Plans

Purpose: Modern IMRT relies on computers to generate treatment plans of varied complexity. A highly complex treatment plan may use a large number of small and irregular beam apertures in order to achieve high dose conformity. However, excessive beam complexity can increase dosimetric uncertainty, prolong treatment time, and increase susceptibility to target or organ motion. In this study we sought to develop metrics to assess the complexity of IMRT beams and plans. Methods: Based the information of leaf positions and MU for each beam segment, we calculated the following beam complexity metrics: aperture area, shape irregularity, and beam modulation. Then these beam complexity metrics were averaged to obtain the corresponding plan complexity metrics, using the beam MUs as weighting factors. We evaluated and compared the beam and plan complexity scores for 65 IMRT plans from 3 sites (prostate, head and neck, and spine). We also studied how the plan complexity scores were affected by adjusting inverse planning parameters. Results: For prostate IMRT, the lateral beams had large MUs and smaller shape irregularity, while the anterior or posterior beams had larger modulation values. On average, the prostate IMRT plans had the smallest shape irregularity and beam modulation; the HN IMRT plans had the largest aperture area, shape irregularity, and beam modulation; and the spine stereotactic IMRT plans often had small aperture area, which may be associated with relatively large discrepancies between calculated and measures doses. The plan complexity increased as the number of optimization iterations and the number of beam segments increased and as the minimum segment area decreased. Conclusion: Complexity of IMRT beams and plans were quantified in terms of aperture area, shape irregularity and beam modulation. The complexity metrics varied among IMRT plans for different disease sites and were affected when the planning parameters were adjusted.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Accurate and Sensitive Analytical Strategy for the Determination of Antimony: Hydrogen Assisted T-Shaped Slotted Quartz Tube-Atom Trap-Flame Atomic Absorption Spectrometry

Antimony is known to have some adverse health effects on human health. Flame atomic absorption spectrometry (FAAS) is a widely used instrumental for the determination of antimony and other metals. However, it lacks the sensitivity to determine these metals at trace levels. This study was aimed at overcoming this setback by using hydrogen assisted T-shaped slotted quartz tube technique to preconcentrate and determine antimony by FAAS. All the system parameters were optimized to enhance the detection power of the system. Under the optimum experimental conditions, the limits of detection and quantification were found to be 0.75 and 2.49 µg L{sup −1}, respectively with R{sup 2} value of 0.9999. Accuracy of the developed method was validated by experimental results agreeing to the certified value of a standard reference material. Recovery studies were also carried out to determine the method’s applicability to tap and mineral water samples, and the results obtained were appreciable.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Multiplication and Presence of Shielding Material from Time-Correlated Pulse-Height Measurements of Subcritical Plutonium Assemblies

Here, we present the results from the first measurements of the Time-Correlated Pulse-Height (TCPH) distributions from 4.5 kg sphere of α-phase weapons-grade plutonium metal in five configurations: bare, reflected by 1.27 cm and 2.54 cm of tungsten, and 2.54 cm and 7.62 cm of polyethylene. A new method for characterizing source multiplication and shielding configuration is also demonstrated. The method relies on solving for the underlying fission chain timing distribution that drives the spreading of the measured TCPH distribution. We found that a gamma distribution fits the fission chain timing distribution well and that the fit parameters correlate with both multiplication (rate parameter) and shielding material types (shape parameter). The source-to-detector distance was another free parameter that we were able to optimize, and proved to be the most well constrained parameter. MCNPX-PoliMi simulations were used to complement the measurements and help illustrate trends in these parameters and their relation to multiplication and the amount and type of material coupled to the subcritical assembly.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Optimal Linear Water Density for Proton Transport in Tunnel Oxides

Proton intercalation and transport is key to pseudocapacitive energy storage of oxide electrodes in acidic electrolytes. Although proton transport in water confined in layered or 2D materials is attracting great interest, much less is known about how the proton is transported in the 1D channels of tunnel oxides such as hexagonal WO 3 (h-WO 3 ). Here, we use first-principles molecular dynamics to reveal an optimal linear density of four water molecules per nanometer that yields the highest proton diffusivity. The volcano shape of proton diffusivity versus linear water density is a result of balancing the linear hydrogen-bond chain and the rotation of the water molecules to enable the Grotthuss mechanism. Furthermore, this insight provides a unifying view of proton transport along a single file of water molecules confined in hydrophilic 1D channels.

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

Quasiaperiodic grain boundary phases of Σ⁢5 tilt grain boundaries in refractory metals

We report ground-state structures and phase transitions in Σ⁢5⁢[001] tilt grain boundaries (GBs) in body-centered-cubic (bcc) refractory metals Nb, Ta, Mo, and W. Σ⁢5 tilt GBs have been extensively investigated over the past several decades, with their ground-state structure—composed of kite-shaped structural units—previously thought to be well understood. By performing a rigorous GB structure search that optimizes the number of atoms in the boundary core, we predict different quasiaperiodic “split kite” phases analogous to those previously found in GBs in face-centered-cubic metals. Furthermore, our results suggest that complex aperiodic phases of GBs appear to be a general phenomenon, as validated through density functional theory calculations. Moreover, the atoms in the split kite phase demonstrate distinct collective diffusion dynamics. Phase-contrast image simulations of split kites show better agreement with experimental observations, offering an alternative explanation for previous microscopy results and motivating future atomically resolved imaging of the GB structure.

Body-centered cubic↗
DOE OSTI2021

Small-sized specimen design with the provision for high-frequency bending-fatigue testing

The testing and study of emerging materials—such as additively manufactured materials—demands for specimen designs that are cost effective and time saving. Here the design of a small-sized bending-fatigue test specimen for an ultrasonic fatigue testing system is reported in this paper. The design is optimized based on the finite element analysis and analytical-solution results to achieve the proper vibration shape and stress distribution. The proposed design is evaluated in the high- and very-high-cycle fatigue regimes under 20-kHz frequency. Both simulation and testing results confirm that the desirable vibration mode occurs and the specimen fails at the designated test (gauge) section, where the maximum stress exists. The stress–life (S–N) curve is obtained for Inconel alloy 718 and indicates an expected trend.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Optimal Matched Filter in the Low-number Count Poisson Noise Regime and Implications for X-Ray Source Detection

Detection of templates (e.g., sources) embedded in low-number count Poisson noise is a common problem in astrophysics. Examples include source detection in X-ray images, γ-rays, UV, neutrinos, and search for clusters of galaxies and stellar streams. However, the solutions in the X-ray-related literature are sub-optimal in some cases by considerable factors. Using the lemma of Neyman–Pearson, we derive the optimal statistics for template detection in the presence of Poisson noise. We demonstrate that, for known template shape (e.g., point sources), this method provides higher completeness, for a fixed false-alarm probability value, compared with filtering the image with the point-spread function (PSF). In turn, we find that filtering by the PSF is better than filtering the image using the Mexican-hat wavelet (used by wavdetect). For some background levels, our method improves the sensitivity of source detection by more than a factor of two over the popular Mexican-hat wavelet filtering. This filtering technique can also be used for fast PSF photometry and flare detection; it is efficient and straightforward to implement. We provide an implementation in MATLAB. The development of a complete code that works on real data, including the complexities of background subtraction and PSF variations, is deferred for future publication.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Traffic Shaping to Traffic Engineering in Time-Sensitive OT Network

Modern industrial automation systems increasingly depend on network infrastructures for time-critical communication, driving the need for solutions that guarantee timely and reliable data delivery. IEEE 802.1 Time-Sensitive Networking (TSN) holds significant promise for converging Information Technology (IT) and Operational Technology (OT) networks, enabling interoperability and supporting the coexistence of mixed-critical traffic crucial for Industry 4.0 and IIoT. To achieve deterministic communication, TSN employs various traffic shapers such as the Time-Aware Shaper (TAS), Asynchronous Traffic Shaper (ATS), and Credit-Based Shaper (CBS). However, the effective deployment of TSN in industrial automation faces several challenges. These include the non-trivial mapping of diverse industrial traffic types to specific shapers, the complexity of optimizing shaper configurations. We present a model for effective traffic engineering within TSN enabled OT Network. Our experiments also demonstrate how shaping of certain traffic types get affected in absence of precise time synchronization and propose possible solutions based on experiment results. Based on our experimental results we provide recommendations on how traffic type assignments should be done and which traffic shaping mechanisms should be used for a particular traffic type.

Sarker, Taposh Kumer [University of Texas at El Pa↗
DOE OSTI2014

Understanding shape entropy through local dense packing

Entropy drives the phase behavior of colloids ranging from dense suspensions of hard spheres or rods to dilute suspensions of hard spheres and depletants. Entropic ordering of anisotropic shapes into complex crystals, liquid crystals, and even quasicrystals was demonstrated recently in computer simulations and experiments. The ordering of shapes appears to arise from the emergence of directional entropic forces (DEFs) that align neighboring particles, but these forces have been neither rigorously defined nor quantified in generic systems. In this paper, we show quantitatively that shape drives the phase behavior of systems of anisotropic particles upon crowding through DEFs. We define DEFs in generic systems and compute them for several hard particle systems. We show they are on the order of a few times the thermal energy (k B T) at the onset of ordering, placing DEFs on par with traditional depletion, van der Waals, and other intrinsic interactions. In experimental systems with these other interactions, we provide direct quantitative evidence that entropic effects of shape also contribute to self-assembly. We use DEFs to draw a distinction between self-assembly and packing behavior. We show that the mechanism that generates directional entropic forces is the maximization of entropy by optimizing local particle packing. Finally, we show that this mechanism occurs in a wide class of systems and we treat, in a unified way, the entropy-driven phase behavior of arbitrary shapes, incorporating the well-known works of Kirkwood, Onsager, and Asakura and Oosawa.

36 MATERIALS SCIENCE↗