Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “model fitting”

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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Measurement of the branching fraction of D s + → ℓ + ν ℓ via e + e − → D s * + D s * −

Based on 10.64 fb − 1 of e + e − collision data taken at center-of-mass energies between 4.237 and 4.699 GeV with the BESIII detector, we study the leptonic D s + decays using the e + e − → D s * + D s * − process. The branching fractions of D s + → ℓ + ν ℓ ( ℓ = μ , τ ) are measured to be B D s + → μ + ν μ = ( 0.547 ± 0.02 6 stat ± 0.01 6 syst ) % and B D s + → τ + ν τ = ( 5.60 ± 0.1 6 stat ± 0.2 0 syst ) % , respectively. The product of the decay constant and Cabibbo-Kobayashi-Maskawa matrix element | V c s | is determined to be f D s + | V c s | = ( 246.5 ± 5.9 stat ± 3.6 syst ± 0.5 input ) μ ν and f D s + | V c s | = ( 252.7 ± 3.6 stat ± 4.5 syst ± 0.6 input ) τ ν MeV , respectively. Taking the value of | V c s | from a global fit in the Standard Model, we obtain f D s + = ( 253.2 ± 6.0 stat ± 3.7 syst ± 0.6 input ) μ ν and f D s + = ( 259.6 ± 3.7 stat ± 4.6 syst ± 0.6 input ) τ ν MeV , respectively. Conversely, taking the value for f D s + from the latest lattice quantum chromodynamics calculation, we obtain | V c s | = ( 0.986 ± 0.02 3 stat ± 0.01 4 syst ± 0.00 3 input ) μ ν and | V c s | = ( 1.011 ± 0.01 4 stat ± 0.01 8 syst ± 0.00 3 input ) τ ν , respectively. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Model-independent description of B → D π ℓ ν decays

We introduce a new parametrization of B → D π ℓ ν form factors using a partial-wave expansion and derive bounds on the series coefficients using analyticity and unitarity. This is the first generalization of the model-independent formalism developed by Boyd, Grinstein, and Lebed for B → D ℓ ν to semileptonic decays with multihadron final states, and enables data-driven form-factor determinations with robust, systematically improvable uncertainties. Using this formalism, we extract the form-factor parameters for B → D 2 * ( → D π ) ℓ ν decays in a model-independent way from fits of data from the Belle Experiment. We find that the semileptonic data are compatible with the presence of two poles in the D π S-wave channel, which is the scenario preferred by nonleptonic decays and unitarized chiral perturbation theory. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Measurements of the temperature and $E$-mode polarization of the cosmic microwave background from the full 500-square-degree SPTpol dataset

Using the full four-year SPTpol 500 deg 2 dataset in both the 95 and 150 GHz frequency bands, we present measurements of the temperature and E-mode polarization of the cosmic microwave background (CMB), as well as the E-mode polarization autopower spectrum (EE) and temperature-E-mode cross-power spectrum (TE) in the angular multipole range 50 < ℓ < 8000. We find the SPTpol dataset to be self-consistent, passing several internal consistency tests based on maps, frequency bands, bandpowers, and cosmological parameters. The full SPTpol dataset is well-fit by the ΛCDM model, for which we find H 0 = 70.48 ± 2.16 km s -1 Mpc -1 and Ω m = 0.271 ± 0.026, when using only the SPTpol data and a Planck-based prior on the optical depth to reionization. The ΛCDM parameter constraints are consistent across the 95 GHz-only, 150 GHz-only, TE-only, and EE-only data splits. Between the ℓ < 1000 and ℓ > 1000 data splits, the ΛCDM parameter constraints are borderline consistent at the ∼2σ level. This consistency improves when including a parameter A L , the degree of lensing of the CMB inferred from the smearing of acoustic peaks. When marginalized over A L , the ΛCDM parameter constraints from SPTpol are consistent with those from Planck. In conclusion, the power spectra presented here are the most sensitive measurements of the lensed CMB damping tail to date for roughly ℓ > 1700 in TE and ℓ > 2000 in EE.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Synthesis and characterization of the novel breathing pyrochlore compound Ba 3 ⁢Tm 2⁢ Zn 5⁢ O 11

In this study, a novel material from the rare-earth based breathing pyrochlore family, Ba 3 ⁢Tm 2 ⁢Zn 5 ⁢O 11 , was successfully synthesized. Powder x-ray diffraction and high-resolution powder neutron diffraction confirmed phase purity and the $F\bar4$3⁢𝑚 breathing pyrochlore crystal structure, while thermogravimetric analysis revealed incongruent melting behavior compared to its counterpart, Ba 3 ⁢Yb 2⁢ Zn 5⁢ O 11 . High-quality single crystals of Ba 3 ⁢Tm 2 ⁢Zn 5 ⁢O 11 were grown using the traveling solvent floating zone technique and assessed using Laue x-ray diffraction and single crystal x-ray diffraction. Further, thermodynamic characterization indicated paramagnetic behavior down to 0.05 K, and inelastic neutron scattering measurements identified distinct dispersionless crystal electric field energy bands, with the fitted crystal electric field model predicting a single-ion singlet ground state and an energy gap of ∼9 meV separating it from the first excited (singlet) state. Additional low-energy excitation studies on single crystals revealed dispersionless bands at 0.8 and 1 meV. Computed phonon dispersions from first-principles calculations ruled out phonons as the origin of these modes, further illustrating the puzzling and unique properties of Ba 3 ⁢Tm⁢ 2 Zn 5 ⁢O 11 .

36 MATERIALS SCIENCE↗
DOE OSTI2024

Aging Mechanisms of Broad Area ~800 nm Laser Diodes

Here, this work presents a comprehensive study of early aging behavior (<500 hr) in ~800 nm, phosphide-based laser diodes grown by solid-source MBE with different oxygen concentration levels incorporated into the diode epitaxial layers during growth. The data indicate that lasing characteristics prior to aging are degraded by oxygen introduction, but the gradual power degradation rate after the onset of aging is not a strong function of oxygen at these concentration levels. Devices with oxygen concentrations of ~2.5 × 10 15 cm -3 showed significantly longer delay before the onset of aging (incubation time) than devices with less than 1 × 10 15 cm -3 oxygen. Generation-Recombination current and Laser Beam Induced Current measurements indicate that defect densities and aggregation are suppressed at the facets by oxygen, which can explain longer incubation times. Diagnostic data and parametric fits to diode simulation models show that increased cavity optical loss and defect density are primarily responsible for gradual power degradation during aging, rather than changes in nonradiative recombination. Mechanisms are proposed that explain this behavior, based on density functional theory (DFT) simulations and known recombination-enhanced defect generation phenomena.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

The Coastal Carbon Library and Atlas: Open source soil data and tools supporting blue carbon research and policy

Abstract Quantifying carbon fluxes into and out of coastal soils is critical to meeting greenhouse gas reduction and coastal resiliency goals. Numerous ‘blue carbon’ studies have generated, or benefitted from, synthetic datasets. However, the community those efforts inspired does not have a centralized, standardized database of disaggregated data used to estimate carbon stocks and fluxes. In this paper, we describe a data structure designed to standardize data reporting, maximize reuse, and maintain a chain of credit from synthesis to original source. We introduce version 1.0.0. of the Coastal Carbon Library, a global database of 6723 soil profiles representing blue carbon‐storing systems including marshes, mangroves, tidal freshwater forests, and seagrasses. We also present the Coastal Carbon Atlas, an R‐shiny application that can be used to visualize, query, and download portions of the Coastal Carbon Library. The majority (4815) of entries in the database can be used for carbon stock assessments without the need for interpolating missing soil variables, 533 are available for estimating carbon burial rate, and 326 are useful for fitting dynamic soil formation models. Organic matter density significantly varied by habitat with tidal freshwater forests having the highest density, and seagrasses having the lowest. Future work could involve expansion of the synthesis to include more deep stock assessments, increasing the representation of data outside of the U.S., and increasing the amount of data available for mangroves and seagrasses, especially carbon burial rate data. We present proposed best practices for blue carbon data including an emphasis on disaggregation, data publication, dataset documentation, and use of standardized vocabulary and templates whenever appropriate. To conclude, the Coastal Carbon Library and Atlas serve as a general example of a grassroots F.A.I.R. (Findable, Accessible, Interoperable, and Reusable) data effort demonstrating how data producers can coordinate to develop tools relevant to policy and decision‐making.

Holmquist, James R.↗
DOE OSTI2024

Identification and characterization of a skin microbiome on Caenorhabditis elegans suggests environmental microbes confer cuticle protection

ABSTRACT In the wild, C. elegans are emersed in environments teeming with a veritable menagerie of microorganisms. The C. elegans cuticular surface serves as a barrier and first point of contact with their microbial environments. In this study, we identify microbes from C. elegans natural habitats that associate with its cuticle, constituting a simple “skin microbiome.” We rear our animals on a modified CeMbio, mCeMbio, a consortium of ecologically relevant microbes. We first combine standard microbiological methods with an adapted micro skin-swabbing tool to describe the skin-resident bacteria on the C. elegans surface. Furthermore, we conduct 16S rRNA gene sequencing studies to identify relative shifts in the proportion of mCeMbio bacteria upon surface-sterilization, implying distinct skin- and gut-microbiomes. We find that some strains of bacteria, including Enterobacter sp. JUb101 , are primarily found on the nematode skin, while others like Stenotrophomonas indicatrix JUb19 and Ochrobactrum vermis MYb71 are predominantly found in the animal’s gut. Finally, we show that this skin microbiome promotes host cuticle integrity in harsh environments. Together, we identify a skin microbiome for the well-studied nematode model and propose its value in conferring host fitness advantages in naturalized contexts. IMPORTANCE The genetic model organism C. elegans has recently emerged as a tool for understanding host–microbiome interactions. Nearly all of these studies either focus on pathogenic or gut-resident microbes. Little is known about the existence of native, nonpathogenic skin microbes or their function. We demonstrate that members of a modified C. elegans model microbiome, mCeMbio, can adhere to the animal's cuticle and confer protection from noxious environments. We combine a novel micro-swab tool, the first 16S microbial sequencing data from relatively unperturbed C. elegans , and physiological assays to demonstrate microbially mediated protection of the skin. This work serves as a foundation to explore wild C. elegans skin microbiomes and use C. elegans as a model for skin research.

16S RNA↗
DOE OSTI2022

Residual mean field model of valence quarks in the nucleon

Abstract We develop a non-perturbative model for valence parton distribution functions (PDFs) based on the mean field interactions of valence quarks in the nucleonic interior. The main motivation for the model is to obtain a mean field description of the valence quarks as a baseline to study the short range quark–quark interactions that generate the high x tail of PDFs. The model is based on the separation of the valence three-quark cluster and residual system in the nucleon. Then the nucleon structure function is calculated within the effective light-front diagrammatic approach introducing nonperturbative light-front valence quark and residual wave functions. Within the model a new relation is obtained between the position, $$x_p$$ x p , of the peak of $$xq_V(x)$$ x q V ( x ) distribution of the valence quark and the effective mass of the residual system, $$m_R$$ m R , in the form: $$x_{p} \approx {1\over 4} (1-{m_R\over m_N})$$ x p ≈ 1 4 ( 1 - m R m N ) at starting $$Q^2$$ Q 2 . This relation explains the difference in the peak positions for d- and u-quarks through the expected difference of residual masses for valence d- and u-quark distributions. The parameters of the model are fixed by fitting the calculated valence quark distributions to the phenomenological PDFs. This allowed us to estimate the overall mean field contribution in baryonic and momentum sum rules for valence d- and u-quarks. Finally, the evaluated parameters of the non-perturbative wave functions of valence 3q-cluster and residual system can be used in calculation of other quantities such as nucleon form factors, generalized partonic and transverse momentum distributions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

pnnl/emp-gnn

Efficient Graph Neural Network for Predicting Molecular Properties software can compare the prediction quality with ab initio DFT results reported by the high-performance state-of-theart NWChem quantum chemistry package [1] through Mean Absolute Error (MAE) obtained by the fitting between DFT and model predictions i.e, MPNN [2]. We also demonstrated the performance benefits by grouping large molecules by atom sizes, and executing GNN models on different types of resources. Since the training times depend on the number of atoms, we demonstrate the impact of distributing the workloads on two GPUs with varying capabilities (e.g., NVIDIA A100 vs. GeForce RTX 2080 Ti) to optimize the efficiency. We are at the precipice of broad adoption of GNNs for molecular property prediction tasks; hence, our work is timely by comparing model prediction against classical approaches with the intent of providing initial screening for specific classes of molecules.

Lee, Hyungro↗
DOE OSTI2021

PayamDiba/CoNSEPT

Deciphering the sequence-function relationship encoded in enhancers holds the key to interpreting non-coding variants and understanding mechanisms of transcriptomic variation. Several quantitative models exist for predicting enhancer function and underlying mechanisms; however, there has been no systematic comparison of these models characterizing their relative strengths and shortcomings. Here, we interrogated a rich data set of neuroectodermal enhancers in Drosophila, representing cis- and trans- sources of expression variation, with a suite of biophysical and machine learning models. We performed rigorous comparisons of thermodynamics-based models implementing different mechanisms of activation, repression and cooperativity. Moreover, we developed a convolutional neural network (CNN) model, called CoNSEPT, that learns enhancer ‘grammar’ in an unbiased manner. CoNSEPT is the first general-purpose CNN tool for predicting enhancer function in varying conditions, such as different cell types and experimental conditions, and we show that such complex models can suggest interpretable mechanisms. We found model-based evidence for mechanisms previously established for the studied system, including cooperative activation and short-range repression. The data also favored one hypothesized activation mechanism over another and suggested an intriguing role for a direct, distance-independent repression mechanism. Our modeling shows that while fundamentally different models can yield similar fits to data, they vary in their utility for mechanistic inference.

Dibaeinia, Payam↗
DOE OSTI2021

Single-shot, double-pulse determination of the detonation energy in nanosecond-laser ablation using the blast model

We demonstrate a novel single-shot method to determine the detonation energy of laser-induced plasma and investigate its performance. This approach can be used in cases where there are significant shot-to-shot variations in ablation conditions, such as laser fluctuations, target inhomogeneity, or multiple filamentation with ultrashort pulses. The Sedov blast model is used to fit two time-delayed shadowgrams measured with a double-pulse laser. We find that the reconstruction of detonation parameters is insensitive to the choice of interpulse delay in double-pulse shadowgraphy. In contrast, the initial assumption of expansion dimensionality has a large impact on the reconstructed detonation energy. The method allows for a reduction in the uncertainties of blast wave energy measurements as a diagnostic technique employed in various laser ablation applications.

42 ENGINEERING↗
DOE OSTI2020

TBASS: A Robust Adaptation of Bayesian Adaptive Spline Surfaces

The R package TBASS is an extension of the BASS package created by Francom and Sansó (2019). The package is used to fit a Bayesian multivariate adaptive spline to a dataset that either follows a Student’s t-distribution or has outliers. Much of the framework for TBASS is adapted from the concepts of Bayesian Multivariate Adaptive Regression Splines (BMARS), specifically the work done by Denison, Mallick, and Smith (1998). The spline function is fit using a Reversible-Jump Markov Chain Monte Carlo algorithm,. By including this more robust generalization, a dataset with outliers can be accurately fit using the BMARS model, without the possibility of overfitting or variance inflation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Determination of Solar System R-Process Abundances using ENDF/B-VIII.0 and TENDL-2015 libraries

Recent multi-messenger detection of the binary neutron star merger (GW170817) energized the astrophysical community and encouraged further research for determination of nuclear physics observables. Comprehensive studies of atomic nuclei in the cosmos provide an opportunity for investigating these astrophysical phenomena and acquiring complementary information on stellar nucleosynthesis processes that can be verified using the latest nuclear data. Evaluated Nuclear Data File (ENDF) libraries contain complete collections of reaction cross sections over the energy range relevant to astrophysics, fission yields and decay data. These data collections have been used worldwide in nuclear science, industry and national security applications. There is great interest in exploring the ENDF/B-VIII.0 and TALYS Evaluated Nuclear Data Library (TENDL-2015) for nuclear astrophysics purposes and comparing findings with the Karlsruhe Astrophysical Database of Nucleosynthesis in Stars (KADoNiS). The Maxwellian-averaged cross sections (MACS) and astrophysical reaction rates have been calculated using the ENDF/B-VIII.0 and TENDL-2015 evaluated data sets. The calculated cross sections were combined with the solar system abundances and fitted using the classical model of stellar nucleosynthesis. Astrophysical rapid- and slow-neutron capture, r- and s-process, respectively, abundances were obtained from present data and compared with available values. Further analysis of MACS reveals potential evaluated libraries data deficiencies and a strong need for new measurements. The current results demonstrate a large nuclear astrophysics potential of evaluated libraries and mutually beneficial relations between nuclear industry and research e orts.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Performance Assessment of High Efficiency Variable Speed Air-Source Heat Pump in Cold Climate Applications

This project was part of an effort by ComEd's emerging technology program to evaluate the energy saving potential of new energy efficiency technologies. The focus of this technology assessment was to determine energy and peak demand savings potentials of a high efficiency variable speed, air-source, split system heat pump designed for cold climate applications. The results of this technology assessment will be used by CLEAResult to develop a new energy efficiency measure for Commonwealth Edison Company's incentive programs. The project utilized the National Renewable Energy Laboratory's (NREL) Thermal Test Facility to experimentally characterize cooling and heating performance of a high efficiency heat pump split system under varying outdoor climate conditions. The selected climate conditions represented summer and low temperature winter conditions in ComEd's service territory. The laboratory experimentation results were used to develop equipment performance curves required by EnergyPlus hourly simulation engine. Using typical meteorological year 3 weather data for the Chicago O'Hare airport, hourly building simulations (using the EnergyPlus engine) was utilized to estimate the annual energy savings of the high efficiency heat pump in comparison to a standard efficiency unit in the following U.S. Department of Energy (DOE) building codes program energy prototypes: Single-family residence; Strip mall; and Low-rise office.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

SPRUCE Surface N2O fluxes measured with LI-7820, 2024

This dataset contains N2O (nitrous oxide) efflux rates measurements from the Spruce and Peatland Responses Under Changing Environments (SPRUCE) experimental site within the Marcell Experimental Forest in northern Minnesota, USA. Measurements were made manually with a LiCor N2O/H2O analyzer (LI-7820) and paired SmartChamber (LI-8200-01S) in June, August, and October (2024-06-24 to 2024-10-22). During each measurement, the SmartChamber was placed on 8” PVC collars that were installed in May 2024. N2O flux was derived from 10-minute flux measurements processed using SoilFluxPro software (v5.3.1) and fit to a linear model. Model slope and R2 are reported along with soil water, soil temperature, and air temperature observations made with SmartChamber sensors. N2O is a gaseous N species formed during the microbial processes of denitrification and ammonia oxidation, and is a powerful greenhouse gas. This dataset contains one data file in comma-separate values (*.csv) format. Additional metadata are provided: one data dictionary and a file-level metadata file in comma-separate values (.csv) format and a user guide in PDF (*.pdf) format.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Condensed Phase Guerbet Reactions of Ethanol/Isoamyl Alcohol Mixtures

The self-condensation and cross-condensation reactions of ethanol and isoamyl alcohol are examined to better understand the potential routes to value-added byproducts from fuel ethanol production. Reactions have been carried out in both batch autoclave and continuous condensed-phase reactors using a lanthanum-promoted, alumina-supported nickel catalyst at near-critical condensed phase conditions. Analysis of multiple candidate kinetic models led to a Langmuir–Hinshelwood rate expression that is first-order in alcohol with water as the strongly adsorbed species. This model provides the best fit of data from both batch and continuous reactor experiments. Activation energies for primary condensation reactions increase as carbon chain lengths increase. Selectivities to higher alcohols of 94% and 87% for ethanol and isoamyl alcohol, respectively, were observed at different operating conditions.

Nezam, Iman (ORCID:0000000277598069)↗
DOE OSTI2020

Cloud Atlas: High-precision HST/WFC3/IR Time-resolved Observations of Directly Imaged Exoplanet HD 106906b

HD 106906b is an ∼11M{sub Jup}, ∼15 Myr old directly imaged exoplanet orbiting at an extremely large distance from its host star. The wide separation (7.″11) between HD 106906b and its host star greatly reduces the difficulty in direct-imaging observations, making it one of the most favorable directly imaged exoplanets for detailed characterization. In this paper, we present HST/WFC3/IR time-resolved observations of HD 106906b in the F127M, F139M, and F153M bands. We have achieved ∼1% precision in the lightcurves in all three bands. The F127M lightcurve demonstrates marginally detectable (2.7σ significance) variability with a best-fitting period of 4 hr, while the lightcurves in the other two bands are consistent with flat lines. We construct primary-subtracted deep images and use these images to exclude additional companions to HD 106906 that are more massive than 4 M{sub Jup} and locate at projected distances of more than ∼500 au. We measure the astrometry of HD 106906b in two HST/WFC3 epochs and achieve precisions better than 2.5 mas. The position angle and separation measurements do not deviate from those in the 2004 HST/ACS/HRC images for more than 1σ uncertainty. We provide the HST/WFC3 astrometric results for 25 background stars that can be used as reference sources in future precision astrometry studies. Our observations also provide the first 1.4 μm water band photometric measurement for HD 106906b. HD 106906b’s spectral energy distribution and the best-fitting BT-Settl model have an inconsistency in the 1.4 μm water absorption band, which highlights the challenges in modeling atmospheres of young planetary-mass objects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

The Discovery of the Long-Period, Eccentric Planet Kepler-88 d and System Characterization with Radial Velocities and Photodynamical Analysis

We present the discovery of Kepler-88 d (P{sub d} = 1403±14 days, Msini{sub d}=965±44 M{sub ⊕}=3.04±0.13 M{sub J}, e{sub d}=0.41±0.03) based on six years of radial velocity (RV) follow-up from the W. M. Keck Observatory High Resolution Echelle Spectrometer spectrograph. Kepler-88 has two previously identified planets. Kepler-88 b (KOI-142.01) transits in the NASA Kepler photometry and has very large transit timing variations (TTVs). Nesvorný et al. performed a dynamical analysis of the TTVs to uniquely identify the orbital period and mass of the perturbing planet (Kepler-88 c), which was later was confirmed with RVs from the Observatoire de Haute-Provence (OHP). To fully explore the architecture of this system, we performed photodynamical modeling on the Kepler photometry combined with the RVs from Keck and OHP and stellar parameters from spectroscopy and Gaia. Planet d is not detectable in the photometry, and long-baseline RVs are needed to ascertain its presence. A photodynamical model simultaneously optimized to fit the RVs and Kepler photometry yields the most precise planet masses and orbital properties yet for b and c: P{sub b}=10.91647±0.00014 days, M{sub b}=9.5±1.2 M{sub ⊕}, P{sub c}=22.2649±0.0007 days, and M{sub c}=214.0±5.3 M{sub ⊕}. The photodynamical solution also finds that planets b and c have low eccentricites and low mutual inclination, are apsidally anti-aligned, and have conjunctions on the same hemisphere of the star. Continued RV follow-up of systems with small planets will improve our understanding of the link between inner planetary system architectures and giant planets.

79 ASTRONOMY AND ASTROPHYSICS↗