Search NASA⌕ Search

SEARCH · Search NASA

Results for “Conformal models”

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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Quantum complexity in gravity, quantum field theory, and quantum information science

Quantum complexity quantifies the difficulty of preparing a state or implementing a unitary transformation with limited resources. Applications range from quantum computation to condensed matter physics and quantum gravity. Here, we seek to bridge the approaches of these fields, which define and study complexity using different frameworks and tools. We describe several definitions of complexity, along with their key properties. In quantum information theory, we focus on complexity growth in random quantum circuits. In quantum many-body systems and quantum field theory (QFT), we discuss a geometric definition of complexity in terms of geodesics on the unitary group. In dynamical systems, we explore a definition of complexity in terms of state or operator spreading, as well as concepts from tensor-networks. We also outline applications to simple quantum systems, quantum many-body models, and QFTs including conformal field theories (CFTs). Finally, we explain the proposed relationship between complexity and gravitational observables within the holographic anti-de Sitter (AdS)/CFT correspondence.

Baiguera, Stefano [Istituto Nazionale di Fisica Nu↗
DOE OSTI2023

Assembly of JAZ–JAZ and JAZ–NINJA complexes in jasmonate signaling

Jasmonates (JAs) are plant hormones with crucial roles in development and stress resilience. They activate MYC transcription factors by mediating the proteolysis of MYC inhibitors called JAZ proteins. In the absence of JA, JAZ proteins bind and inhibit MYC through the assembly of MYC–JAZ–Novel Interactor of JAZ (NINJA)–TPL repressor complexes. However, JAZ and NINJA are predicted to be largely intrinsically unstructured, which has precluded their experimental structure determination. Through a combination of biochemical, mutational, and biophysical analyses and AlphaFold-derived ColabFold modeling, we characterized JAZ–JAZ and JAZ–NINJA interactions and generated models with detailed, high-confidence domain interfaces. We demonstrate that JAZ, NINJA, and MYC interface domains are dynamic in isolation and become stabilized in a stepwise order upon complex assembly. By contrast, most JAZ and NINJA regions outside of the interfaces remain highly dynamic and cannot be modeled in a single conformation. Our data indicate that the small JAZ Zinc finger expressed in Inflorescence Meristem (ZIM) motif mediates JAZ–JAZ and JAZ–NINJA interactions through separate surfaces, and our data further suggest that NINJA modulates JAZ dimerization. This study advances our understanding of JA signaling by providing insights into the dynamics, interactions, and structure of the JAZ–NINJA core of the JA repressor complex.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites

β-coronavirus (CoVs) alone has been responsible for three major global outbreaks in the 21st century. The current crisis has led to an urgent requirement to develop therapeutics. Even though a number of vaccines are available, alternative strategies targeting essential viral components are required as a backup against the emergence of lethal viral variants. One such target is the main protease (Mpro) that plays an indispensable role in viral replication. The availability of over 270 Mpro X-ray structures in complex with inhibitors provides unique insights into ligand–protein interactions. Herein, we provide a comprehensive comparison of all nonredundant ligand-binding sites available for SARS-CoV2, SARS-CoV, and MERS-CoV Mpro. Extensive adaptive sampling has been used to investigate structural conservation of ligand-binding sites using Markov state models (MSMs) and compare conformational dynamics employing convolutional variational auto-encoder-based deep learning. Our results indicate that not all ligand-binding sites are dynamically conserved despite high sequence and structural conservation across β-CoV homologs. This highlights the complexity in targeting all three Mpro enzymes with a single pan inhibitor.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

mphys-surrogate-model

This repository contains python scripts for building and studying reduced-order-modeling representations of droplet coalescence for eventual use in atmospheric models. The included data are generated from high-fidelity superdroplet methods and are utilized by machine learning pipelines to build data-driven models of droplet size distributions that evolve under coalescence. This repository further includes scripts to determine prediction (uncertainty) intervals on the data-driven model products based on conformal prediction.

Katona, JonasE [Lawrence Livermore National Labora↗
NASA NTRS1980

On the phase-locked polarization variations in Cygnus X-1

The paper presents data on the accumulated V-band orbital phase curves of polarization in Cygnus X-1 which disagree with the analysis of Simmons, Aspin, and Brown (1980). No curves which conform to the canonical model were observed, and a noncanonical structure is indicated by F tests on third, fourth, and fifth harmonics, which have a probability of 0.85 as a group. The fifth harmonic has a probability of 0.99; in contrast, the fundamental harmonic has a probability of only 0.6, which is below the detection threshold. Therefore, major conclusions of Simmons et al based on a nonsymmetrical canonical model assuming that fundamental harmonics are present, but harmonics with n greater than 2 are absent, are unacceptable. Analysis of the author's data by Simmons et al is criticized on the grounds that he did not take into account the cumulative aspects of the data and did not recognize the need to average out the random noise generated by Cygnus X-1 over many orbital cycles.

Kemp, J. C.↗
NASA NTRS1984

Einstein observations of selected close binaries and shell stars

Several evolved close binaries and shell stars were observed with the IPC aboard the HEAO 2 Einstein Observatory. No eclipsing target was detected, and only two of the shell binaries were detected. It is argued that there is no substantial difference in L(X) for eclipsing and non-eclipsing binaries. The close binary and shell star CX Dra was detected as a moderately strong source, and the best interpretation is that the X-ray flux arises primarily from the corona of the cool member of the binary at about the level of Algol-like or RS CVn-type sources. The residual visible-band light curve of this binary has been modeled so as to conform as well as possible with this interpretation. HD 51480 was detected as a weak source. Substantial background information from IUE and ground scanner measurements are given for this binary. The positions and flux values of several accidentally detected sources are given.

Guinan, E. F.↗
NASA NTRS1987

The multichannel astrometric photometer and atmospheric limitations in the measurement of relative positions

The operational Multichannel Astrometric Photometer (MAP) now in use in the Allegheny Observatory astrometric program is the culmination of a decade of design and development effort. A detailed description of the system and its related software is followed by analysis of data acquired in four stellar regions. The study indicates an accuracy (in the sense of conformity to the best model), per night, for stars of the eighth magnitude or brighter, of 0.003 arcsec or better. These data points each have approximately twice the precision of the annual normal points obtained in our photographic program. Accuracy is shown to depend on: (1) the photon-count rate of the target star (it follows that the number of photons from the reference frame is also in important factor), (2) the duration of the observation, (3) the angular size of the reference frame, and (4) the quality of the astronomical seeing. Since (4) and, to a lesser extent, (1) involve the atmospheric characteristics at the time of observation, the probable performance at more favorable sites is discussed briefly.

Gatewood, George D.↗
NASA NTRS1990

A modification of the fusion model for log polar coordinates

The fusion mechanism for application in stereo analysis of range restricted the depth of field and therefore required a shift variant mechanism in the peripheral area to find disparity. Misregistration was prevented by restricting the disparity detection range to a neighborhood spanned by the directional edge detection filters. This transformation was essentially accomplished by a nonuniform resampling of the original image in a horizontal direction. While this is easily implemented for digital processing, the approach does not (in the peripheral vision area) model the log-conformal mapping which is known to occur in the human mechanism. This paper therefore modifies the original fusion concept in the peripheral area to include the polar exponential grid-to-log conformal tesselation. Examples of the fusion process resulting in accurate disparity values are given.

Griswold, N. C.↗
NASA NTRS1995

On the joint spectral density of bivariate random sequences

For univariate random sequences, the power spectral density acts like a probability density function of the frequencies present in the sequence. This dissertation extends that concept to bivariate random sequences. For this purpose, a function called the joint spectral density is defined that represents a joint probability weighing of the frequency content of pairs of random sequences. Given a pair of random sequences, the joint spectral density is not uniquely determined in the absence of any constraints. Two approaches to constraining the sequences are suggested: (1) assume the sequences are the margins of some stationary random field, (2) assume the sequences conform to a particular model that is linked to the joint spectral density. For both approaches, the properties of the resulting sequences are investigated in some detail, and simulation is used to corroborate theoretical results. It is concluded that under either of these two constraints, the joint spectral density can be computed from the non-stationary cross-correlation.

Aalfs, David D.↗
NASA NTRS1996

Robust Hybrid Finite Element Methods for Antennas and Microwave Circuits

One of the primary goals in this dissertation is concerned with the development of robust hybrid finite element-boundary integral (FE-BI) techniques for modeling and design of conformal antennas of arbitrary shape. Both the finite element and integral equation methods will be first overviewed in this chapter with an emphasis on recently developed hybrid FE-BI methodologies for antennas, microwave and millimeter wave applications. The structure of the dissertation is then outlined. We conclude the chapter with discussions of certain fundamental concepts and methods in electromagnetics, which are important to this study.

Gong, J.↗
NASA NTRS2000

A Coupled Ocean General Circulation, Biogeochemical, and Radiative Model of the Global Oceans: Seasonal Distributions of Ocean Chlorophyll and Nutrients

A coupled ocean general circulation, biogeochemical, and radiative model was constructed to evaluate and understand the nature of seasonal variability of chlorophyll and nutrients in the global oceans. Biogeochemical processes in the model are determined from the influences of circulation and turbulence dynamics, irradiance availability. and the interactions among three functional phytoplankton groups (diatoms. chlorophytes, and picoplankton) and three nutrients (nitrate, ammonium, and silicate). Basin scale (greater than 1000 km) model chlorophyll results are in overall agreement with CZCS pigments in many global regions. Seasonal variability observed in the CZCS is also represented in the model. Synoptic scale (100-1000 km) comparisons of imagery are generally in conformance although occasional departures are apparent. Model nitrate distributions agree with in situ data, including seasonal dynamics, except for the equatorial Atlantic. The overall agreement of the model with satellite and in situ data sources indicates that the model dynamics offer a reasonably realistic simulation of phytoplankton and nutrient dynamics on synoptic scales. This is especially true given that initial conditions are homogenous chlorophyll fields. The success of the model in producing a reasonable representation of chlorophyll and nutrient distributions and seasonal variability in the global oceans is attributed to the application of a generalized, processes-driven approach as opposed to regional parameterization and the existence of multiple phytoplankton groups with different physiological and physical properties. These factors enable the model to simultaneously represent many aspects of the great diversity of physical, biological, chemical, and radiative environments encountered in the global oceans.

Gregg, Watson W.↗
NASA NTRS2002

Turbulence Measurements of Separate Flow Nozzles with Mixing Enhancement Features

Comparison of turbulence data taken in three separate flow nozzles, two with mixing enhancement features on their core nozzle, shows how the mixing enhancement features modify turbulence to reduce jet noise. The three nozzles measured were the baseline axisymmetric nozzle 3BB, the alternating chevron nozzle, 3A12B, with 6-fold symmetry, and the flipper tab nozzle 3T24B also with 6-fold symmetry. The data presented show the differences in turbulence characteristics produced by the geometric differences in the nozzles, with emphasis on those characteristics of interest in jet noise. Among the significant findings: the enhanced mixing devices reduce turbulence in the jet mixing region while increasing it in the fan/core shear layer, the ratios of turbulence components are significantly altered by the mixing devices, and the integral lengthscales do not conform to any turbulence model yet proposed. These findings should provide guidance for modeling the statistical properties of turbulence to improve jet noise prediction.

Bridges, James↗
NASA NTRS2005

Space Physics Data Facility Web Services

The Space Physics Data Facility (SPDF) Web services provides a distributed programming interface to a portion of the SPDF software. (A general description of Web services is available at http://www.w3.org/ and in many current software-engineering texts and articles focused on distributed programming.) The SPDF Web services distributed programming interface enables additional collaboration and integration of the SPDF software system with other software systems, in furtherance of the SPDF mission to lead collaborative efforts in the collection and utilization of space physics data and mathematical models. This programming interface conforms to all applicable Web services specifications of the World Wide Web Consortium. The interface is specified by a Web Services Description Language (WSDL) file. The SPDF Web services software consists of the following components: 1) A server program for implementation of the Web services; and 2) A software developer s kit that consists of a WSDL file, a less formal description of the interface, a Java class library (which further eases development of Java-based client software), and Java source code for an example client program that illustrates the use of the interface.

Candey, Robert M.↗
NASA NTRS2013

Ridge Orientations of the Ridge-Forming Unit, Sinus Meridiani, Mars-A Fluvial Explanation

Imagery and MOLA data were used in an analysis of the ridge-forming rock unit (RFU) exposed in Sinus Meridiani (SM). This unit shows parallels at different scales with fluvial sedimentary bodies. We propose the terrestrial megafan as the prime analog for the RFU, and likely for other members of the layered units. Megafans are partial cones of fluvial sediment, with radii up to hundreds of km. Although recent reviews of hypotheses for the RFU units exclude fluvial hypotheses [1], inverted ridges in the deserts of Oman have been suggested as putative analogs for some ridges [2], apparently without appreciating The wider context in which these ridges have formed is a series of megafans [3], a relatively unappreciated geomorphic feature. It has been argued that these units conform to the megafan model at the regional, subregional and local scales [4]. At the regional scale suites of terrestrial megafans are known to cover large areas at the foot of uplands on all continents - a close parallel with the setting of the Meridiani sediments at the foot of the southern uplands of Mars, with its incised fluvial systems leading down the regional NW slope [2, 3] towards the sedimentary units. At the subregional scale the layering and internal discontinuities of the Meridiani rocks are consistent, inter alia, with stacked fluvial units [4]. Although poorly recognized as such, the prime geomorphic environment in which stream channel networks cover large areas, without intervening hillslopes, is the megafan [see e.g. 4]. Single megafans can reach 200,000 km2 [5]. Megafans thus supply an analog for areas where channel-like ridges (as a palimpsest of a prior landscape) cover the intercrater plains of Meridiani [6]. At the local, or river-reach scale, the numerous sinuous features of the RFU are suggestive of fluvial channels. Cross-cutting relationships, a common feature of channels on terrestrial megafans, are ubiquitous. Desert megafans show cemented paleo-channels as inverted topography [4] with all these characteristics.

Wilkinson, M. Justin↗
NASA NTRS2016

Applying Required Navigation Performance Concept for Traffic Management of Small Unmanned Aircraft Systems

In anticipation of a rapid increase in the number of civil Unmanned Aircraft System(UAS) operations, NASA is researching prototype technologies for a UAS Traffic Management (UTM) system that will investigate airspace integration requirements for enabling safe, efficient low-altitude operations. One aspect a UTM system must consider is the correlation between UAS operations (such as vehicles, operation areas and durations), UAS performance requirements, and the risk to people and property in the operational area. This paper investigates the potential application of the International Civil Aviation Organizations (ICAO) Required Navigation Performance (RNP) concept to relate operational risk with trajectory conformance requirements. The approach is to first define a method to quantify operational risk and then define the RNP level requirement as a function of the operational risk. Greater operational risk corresponds to more accurate RNP level, or smaller tolerable Total System Error (TSE). Data from 19 small UAS flights are used to develop and validate a formula that defines this relationship. An approach to assessing UAS-RNP conformance capability using vehicle modeling and wind field simulation is developed to investigate how this formula may be applied in a future UTM system. The results indicate the modeled vehicles flight path is robust to the simulated wind variation, and it can meet RNP level requirements calculated by the formula. The results also indicate how vehicle-modeling fidelity may be improved to adequately verify assessed RNP level.

required navigation performance↗
DOE OSTI2024

Correcting implicit solvation at metal/water interfaces through the incorporation of competitive water adsorption

Conventional continuum solvation models are ubiquitous in computational catalysis, including for describing metal/water interfaces, which are relevant to both solution-phase heterogeneous catalysis and electrocatalysis. Nonetheless, we find that such continuum models qualitatively fail to describe both the adsorption free energy and conformational preference for many organic molecules at such interfaces, largely due to the failure of continuum models to incorporate the role of competitive water adsorption. We develop a simple phenomenological model that accounts for competitive water adsorption and show that the model, when used in conjunction with continuum solvation, provides a dramatic improvement in the description of both adsorption and conformational preference. The model is also extended to additionally incorporate the influence of applied potential at the electrode surface, thus facilitating computationally efficient applications to scenarios including electrocatalysis.

Chemistry↗
DOE OSTI2020

Modeling of Hidden Structures Using Sparse Chemical Shift Data from NMR Relaxation Dispersion

NMR relaxation dispersion measurements report on conformational changes occurring on the μs-ms timescale. Chemical shift information derived from relaxation dispersion can be used to generate structural models of weakly populated alternative conformational states. Current methods to obtain such models rely on determining the signs of chemical shift changes between the conformational states, which are difficult to obtain in many situations. Here, we use a “sample and select” method to generate relevant structural models of alternative conformations of the C-terminal-associated region of Escherichia coli dihydrofolate reductase (DHFR), using only unsigned chemical shift changes for backbone amides and carbonyls ( 1 H, 15 N, and 13 C'). We find that CS-Rosetta sampling with unsigned chemical shift changes generates a diversity of structures that are sufficient to characterize a minor conformational state of the C-terminal region of DHFR. The excited state differs from the ground state by a change in secondary structure, consistent with previous predictions from chemical shift hypersurfaces and validated by the x-ray structure of a partially humanized mutant of E. coli DHFR (N23PP/G51PEKN). The results demonstrate that the combination of fragment modeling with sparse chemical shift data can determine the structure of an alternative conformation of DHFR sampled on the μs-ms timescale. Such methods will be useful for characterizing alternative states, which can potentially be used for in silico drug screening, as well as contributing to understanding the role of minor states in biology and molecular evolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗