Search NASA⌕ Search

SEARCH · Search NASA

Results for “SIMPLE”

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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Simple correction to bandgap problems in IV and III–V semiconductors: an improved, local first-principles density functional theory

We report results from a fast, efficient, and first-principles full-potential Nth-order muffin-tin orbital (FP-NMTO) method combined with van Leeuwen–Baerends correction to local density exchange-correlation potential. We show that more complete and compact basis set is critical in improving the electronic and structural properties. Here, we exemplify the self-consistent FP-NMTO calculations on group IV and III–V semiconductors. Notably, predicted bandgaps, lattice constants, and bulk moduli are in good agreement with experiments (e.g. we find for Ge 0.86 eV, 5.57 Å, 75 GPa versus measured 0.74 eV, 5.66 Å, 77.2 GPa). Here, we also showcase its application to the electronic properties of 2-dimensional h -BN and h -SiC, again finding good agreement with experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The observational position of simple non-minimally coupled inflationary scenarios

We consider two classes of non-minimally coupled inflation models; those with a quadratic coupling of the inflaton to gravity, and the 'Universal Attractor' models where the coupling is connected to the potential. We make a detailed analysis of the attractor structure in the latter case, identifying a shift of the attractor from the Starobinsky point and determining conditions for approach to the attractor. We then assess the viability of the models under different interpretations of the BICEP2 experiment's detection of B-mode polarisation, finding strong constraints on the non-minimal coupling in the case where the B-modes have mostly primordial origin.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Simple inhomogeneous cosmological (toy) models

Based on the Lemaître-Tolman-Bondi (LTB) metric we consider two flat inhomogeneous big-bang models. We aim at clarifying, as far as possible analytically, basic features of the dynamics of the simplest inhomogeneous models and to point out the potential usefulness of exact inhomogeneous solutions as generalizations of the homogeneous configurations of the cosmological standard model. We discuss explicitly partial successes but also potential pitfalls of these simplest models. Although primarily seen as toy models, the relevant free parameters are fixed by best-fit values using the Joint Light-curve Analysis (JLA)-sample data. On the basis of a likelihood analysis we find that a local hump with an extension of almost 2 Gpc provides a better description of the observations than a local void for which we obtain a best-fit scale of about 30 Mpc. Future redshift-drift measurements are discussed as a promising tool to discriminate between inhomogeneous configurations and the ΛCDM model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Multi-field effects in a simple extension of R {sup 2} inflation

We consider inflation in the system containing a Ricci scalar squared term and a canonical scalar field with quadratic mass term. In the Einstein frame this model takes the form of a two-field inflation model with a curved field space, and under the slow-roll approximation contains four free parameters corresponding to the masses of the two fields and their initial positions. We investigate how the inflationary dynamics and predictions for the primordial curvature perturbation depend on these four parameters. Our analysis is based on the δ N formalism, which allows us to determine predictions for the non-Gaussianity of the curvature perturbation as well as for quantities relating to its power spectrum. Depending on the choice of parameters, we find predictions that range from those of R {sup 2} inflation to those of quadratic chaotic inflation, with the non-Gaussianity of the curvature perturbation always remaining small. Using our results we are able to put constraints on the masses of the two fields.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Gravitational waves from first-order phase transition in a simple axion-like particle model

We consider a gauge-singlet complex scalar field Φ with a global U(1) symmetry that is spontaneously broken at some high energy scale ƒ a . As a result, the angular part of the Φ-field becomes an axion-like particle (ALP). We show that if the Φ-field has a nonzero coupling κ to the Standard Model Higgs boson, there exists a certain region in the (ƒ a , κ) parameter space where the global U(1) symmetry-breaking induces a strongly first order phase transition, thereby producing stochastic gravitational waves that are potentially observable in current and future gravitational-wave detectors. In particular, we find that future gravitational-wave experiments such as TianQin, BBO and Cosmic Explorer could probe a broad range of the energy scale 10 3 GeV ≳ ƒ a ≳ 108 GeV, independent of the ALP mass. Since all the ALP couplings to the Standard Model particles are proportional to inverse powers of the energy scale ƒ a (up to model-dependent O (1) coefficients), the gravitationalwave detection prospects are largely complementary to the current laboratory, astrophysical and cosmological probes of the ALP scenarios.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

artdaq : DAQ software development made simple

For a few years now, the artdaq data acquisition software toolkit has provided numerous experiments with ready-to-use components which allow for rapid development and deployment of DAQ systems. Developed within the Fermilab Scientific Computing Division, artdaq provides data transfer, event building, run control, and event analysis functionality. This latter feature includes built-in support for the art event analysis framework, allowing experiments to run art modules for real-time filtering, compression, disk writing and online monitoring; as art, also developed at Fermilab, is also used for online analysis, a major advantage of artdaq is that it allows developers to easily switch between developing online and online software. artdaq continues to be improved. Support for an alternate mode of running whereby data from some subdetector components are only streamed if requested has been added; this option will reduce unnecessary DAQ throughput. Real-time reporting of DAQ metrics has been implemented, along with the flexibility to choose the format through which experiments receive the reports; these formats include the Ganglia, Graphite and syslog software packages, along with at ASCII files. Additionally, work has been performed investigating more flexible modes of online monitoring, including the capability of being able to run multiple online monitoring processes on different hosts, each running its own set of art modules. Finally, a web-based GUI interface through which users can configure details of their DAQ system has been implemented, increasing the ease of use of the system. Already successfully deployed on the LArIAT, DarkSide-50, DUNE 35ton and Mu2e experiments, artdaq will be employed for SBND and is a strong candidate for use on ICARUS and protoDUNE. With each experiment comes new ideas for how artdaq can be made more flexible and powerful; the above improvements will be described, along with potential ideas for the future.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Enabling robust offline active learning for machine learning potentials using simple physics-based priors

Abstract Machine learning surrogate models for quantum mechanical simulations have enabled the field to efficiently and accurately study material and molecular systems. Developed models typically rely on a substantial amount of data to make reliable predictions of the potential energy landscape or careful active learning (AL) and uncertainty estimates. When starting with small datasets, convergence of AL approaches is a major outstanding challenge which has limited most demonstrations to online AL. In this work we demonstrate a Δ-machine learning (ML) approach that enables stable convergence in offline AL strategies by avoiding unphysical configurations with initial datasets as little as a single data point. We demonstrate our framework’s capabilities on a structural relaxation, transition state calculation, and molecular dynamics simulation, with the number of first principle calculations being cut down anywhere from 70%–90%. The approach is incorporated and developed alongside AMP torch , an open-source ML potential package, along with interactive Google Colab notebook examples.

Shuaibi, Muhammed↗
DOE OSTI2021

A redefinition of the halo boundary leads to a simple yet accurate halo model of large-scale structure

ABSTRACT We present a model for the halo–mass correlation function that explicitly incorporates halo exclusion and allows for a redefinition of the halo boundary in a flexible way. We assume that haloes trace mass in a way that can be described using a single scale-independent bias parameter. However, our model exhibits scale-dependent biasing due to the impact of halo-exclusion, the use of a ‘soft’ (i.e. not infinitely sharp) halo boundary, and differences in the one halo term contributions to ξhm and ξmm. These features naturally lead us to a redefinition of the halo boundary that lies at the ‘by eye’ transition radius from the one-halo to the two-halo term in the halo–mass correlation function. When adopting our proposed definition, our model succeeds in describing the halo–mass correlation function with $\approx 2{{\ \rm per\ cent}}$ residuals over the radial range 0.1 h−1 Mpc < r < 80 h−1 Mpc, and for halo masses in the range 1013 h−1 M⊙ < M < 1015 h−1 M⊙. Our proposed halo boundary is related to the splashback radius by a roughly constant multiplicative factor. Taking the 87 percentile as reference we find rt/Rsp ≈ 1.3. Surprisingly, our proposed definition results in halo abundances that are well described by the Press–Schechter mass function with δsc = 1.449 ± 0.004. The clustering bias parameter is offset from the standard background-split prediction by $\approx 10{{\ \rm per\ cent}}\!-\!15{{\ \rm per\ cent}}$. This level of agreement is comparable to that achieved with more standard halo definitions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The outer stellar mass of massive galaxies: a simple tracer of halo mass with scatter comparable to richness and reduced projection effects

ABSTRACT Using the weak gravitational lensing data from the Hyper Suprime-Cam Subaru Strategic Program (HSC survey), we study the potential of different stellar mass estimates in tracing halo mass. We consider galaxies with log10(M⋆/M⊙) > 11.5 at 0.2 < z < 0.5 with carefully measured light profiles, and clusters from the redMaPPer and CAMIRA richness-based algorithms. We devise a method (the ‘Top-N test’) to evaluate the scatter in the halo mass–observable relation for different tracers, and to inter-compare halo mass proxies in four number density bins using stacked galaxy–galaxy lensing profiles. This test reveals three key findings. Stellar masses based on CModel photometry and aperture luminosity within R <30 kpc are poor proxies of halo mass. In contrast, the stellar mass of the outer envelope is an excellent halo mass proxy. The stellar mass within R = [50, 100] kpc, M⋆, [50, 100], has performance comparable to the state-of-the-art richness-based cluster finders at log10Mvir ≳ 14.0 and could be a better halo mass tracer at lower halo masses. Finally, using N-body simulations, we find that the lensing profiles of massive haloes selected by M⋆, [50, 100] are consistent with the expectation for a sample without projection or mis-centring effects. Richness-selected clusters, on the other hand, display an excess at R ∼ 1 Mpc in their lensing profiles, which may suggest a more significant impact from selection biases. These results suggest that M⋆-based tracers have distinct advantages in identifying massive haloes, which could open up new avenues for cluster cosmology. The codes and data used in this work can be found here:

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Simple, low-cost and accurate data-driven geophysical forecasting with learned kernels

Modelling geophysical processes as low-dimensional dynamical systems and regressing their vector field from data is a promising approach for learning emulators of such systems. We show that when the kernel of these emulators is also learned from data (using kernel flows, a variant of cross-validation), then the resulting data-driven models are not only faster than equation-based models but are easier to train than neural networks such as the long short-term memory neural network. In addition, they are also more accurate and predictive than the latter. When trained on geophysical observational data, for example the weekly averaged global sea-surface temperature, considerable gains are also observed by the proposed technique in comparison with classical partial differential equation-based models in terms of forecast computational cost and accuracy. When trained on publicly available re-analysis data for the daily temperature of the North American continent, we observe significant improvements over classical baselines such as climatology and persistence-based forecast techniques. Although our experiments concern specific examples, the proposed approach is general, and our results support the viability of kernel methods (with learned kernels) for interpretable and computationally efficient geophysical forecasting for a large diversity of processes.

58 GEOSCIENCES↗
DOE OSTI2026

Simple algorithm for polarized parton evolution

We present an algorithm to include the correlation between the production and decay planes of gluons in a parton-shower simulation. The technique is based on identifying the charge currents responsible for the creation and annihilation of the vector field. It is applicable in both the hard-collinear and the soft wide-angle region. As a function of the number of particles, the algorithm scales linear in computing time and memory. We demonstrate agreement with fixed-order perturbative calculations in the relevant kinematical limits, and present a new observable that can be used to probe correlations beyond current-current interactions.

Höche, Stefan [Fermi National Accelerator Laborato↗
DOE OSTI2016

Bond-rearrangement and ionization mechanisms in the photo-double-ionization of simple hydrocarbons (C 2 H 4 , C 2 H 3 F, and 1,1-C 2 H 2 F 2 ) near and above threshold

We have investigated bond-rearrangement driven by photo-double-ionization (PDI) near and above the double ionization threshold in a sequence of carbon-carbon double bonded hydrocarbon molecules: ethylene, fluoroethylene, and 1,1-difluoroethylene. We employ the kinematically complete cold target recoil ion momentum spectroscopy (COLTRIMS) method to resolve all photo-double-ionization events leading to two-ionic fragments. We observe changes in the branching ratios of different dissociative ionization channels depending on the presence of none, one, or two fluorine atoms. The role of the fluorine atom in the bond-rearrangement channels is intriguing as evident by the re-ordering of the threshold energies of the PDI in the fluorinated molecules. These effects offer a compelling argument that the electronegativity of the fluorine (or the polarity of the molecule) strongly influences the potential energy surfaces of the molcules and drives bond-rearrangement during the dissociation process. The energy sharing and the relative angle between the 3D-momentum vectors of the two electrons provide clear evidence of direct and indirect PDI processes.

74 ATOMIC AND MOLECULAR PHYSICS↗