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Results for “Compositional simulation”

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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Insight into industrial hemp ( Cannabis sativa L.) root exudation composition in a simulated soil environment: a rhizosphere-on-a-chip study

Microfluidic technologies provide a reduced complexity and soil-free environment to study plant-soil interactions at the microscale. Traditionally used for model plants such as Arabidopsis thaliana, this study represents the first application of a rhizosphere-on-a-chip (RhizoChip) to investigate root exudation in industrial hemp (Cannabis sativa L.), an agronomic crop with growing economic importance. By incorporating soil-like minerals (kaolinite, potassium feldspar, and biotite), the RhizoChip addresses limitations of previous research. Hemp seedlings grown in mineral-containing chips exhibited significant root growth, emphasizing the critical role of minerals in root development. Using untargeted metabolomics, 170 compounds were identified, including organic acids, amino acids, and secondary metabolites, with distinct profiles across conditions. Metabolic pathway analysis revealed activity in amino acid metabolism, the citric acid cycle, and secondary metabolite biosynthesis. In conclusion, this study highlights the RhizoChip's potential for long-term studies of root exudates in non-model crops and offers insights into rhizosphere processes with implications for sustainable agriculture.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1983

Mechanisms of degradation of graphite composites in a simulated space environment

Attention is given to degradation mechanisms for graphite/polysulfone and graphite/epoxy laminates exposed to ultraviolet and high-energy electron radiation in vacuum up to 960 equivalent sun hours and to 10 to the 9th rads, respectively. The materials showed good electron radiation stability as indicated by the low G values for gas formation and no evidence of mechanical property changes. Quantum yields for gas formation indicate poor stability to ultraviolet radiation. Mechanical property measurements did not show significant changes up to 960 ESH, with the possible exception of P1700/C6000. The main products of irradiation were identified as hydrogen and methane, along with high levels of CO and CO2.

Giori, C.↗
NASA NTRS1992

The simulation of multispectral composite satellite imagery on 8-bit color workstations

A technique is described which combines up to three channels of imagery into a single 8-bit composite color image. Each image controls a specific color or colors (red, green, or blue) in the resultant color composite image, allowing for improved interpretation of scene characteristics. The technique is a useful tool for the forecaster and satellite image analyst. In addition to providing the capability of displaying multichannel images on an 8-bit desktop color workstation, the technique allows sophisticated image manipulation to be performed.

Griffin, Michael K.↗
NASA NTRS1993

The Composite Analytic and Simulation Package or RFI (CASPR) on a coded channel

CASPR is an analysis package which determines the performance of a coded signal in the presence of Radio Frequency Interference (RFI) and Additive White Gaussian Noise (AWGN). It can analyze a system with convolutional coding, Reed-Solomon (RS) coding, or a concatenation of the two. The signals can either be interleaved or non-interleaved. The model measures the system performance in terms of either the E(sub b)/N(sub 0) required to achieve a given Bit Error Rate (BER) or the BER needed for a constant E(sub b)/N(sub 0).

Freedman, Jeff↗
NASA NTRS1986

Composite sandwich thermostructural behavior - Computational simulation

Computational methods have been developed for simulating the thermomechanical behavior of composite sandwiches, in which the analyses with several levels of progressive sophistication were used in conjunction with composite hygrothermomechanical theory. The sophistication levels include: (1) three-dimensional detailed finite element modeling of the honeycomb, the adhesive, and the composite faces; (2) three-dimensional finite element modeling assuming a homogeneous core; (3) laminate theory simulation; and (4) simple equations for predicting the equivalent properties of the honeycomb core. These levels have been packaged into a procedure embedded in a computer code streamlined for the simulation of the composite sandwich hygrothermal and structural behavior. It is shown that in order to properly simulate the thermomechanical response of the composite sandwich, all the honeycomb thermal and mechanical properties must be used.

Chamis, C. C.↗
NASA NTRS2002

The Stress-strain Behavior of Polymer-Nanotube Composites from Molecular Dynamics Simulations

Stress-strain curves of polymer-carbon nanotube composites are derived from molecular dynamics simulations of a single-walled carbon nanotube embedded in polyethylene. A comparison is made between the response to mechanical loading of a composite with a long, continuous nanotube (replicated via periodic boundary conditions) and the response of a composite with a short, discontinuous nanotube. Both composites are mechanically loaded in the direction of and transverse to the NT axis. The long-nanotube composite shows an increase in the stiffness relative to the polymer and behaves anisotropically under the different loading conditions. The short-nanotube composite shows no enhancement relative to the polymer, most probably because of its low aspect ratio. The stress-strain curves are compared with rule-of-mixtures predictions.

Frankland, S. J. V.↗
NASA NTRS1991

Computational simulation of microfracture in high temperature metal matrix composites

A computational simulation procedure, using three-dimensional finite element method and global strain energy release rates, is described to predict the microfracture process and identify/quantify the hierarchy of respective fracture modes in metal matrix composites. The procedure is used to predict the microfracture in unidirectional composites under longitudinal loads and accounts for the interphase strength in the in situ state. A novel procedure to computationally simulate the fiber pushthrough process is also described. In this simulation, the interface material is replaced by an anisotropic material with greatly reduced shear modulus in order to simulate the fiber pushthrough process using a linear analysis. Such a procedure is easily implemented and is computationally very effective.

Mital, Subodh K.↗
DOE OSTI2020

Predicting the Rate of Homogeneous Intermetallic Nucleation within Steep Composition Gradients

Simulations of isothermal homogeneous nucleation from deeply undercooled amorphous melts exhibit systematic variations in nucleation behavior depending upon the strength of an imposed composition gradient. Data from molecular dynamics (MD) simulations in a model Ni/Al system permit quantification of the nucleation rate of the NiAl-B2 intermetallic phase and indicate that nucleation proceeds in a polymorphous mode. The nucleation rate decreases with increasing gradient, and nucleation is completely suppressed above a critical gradient. Based on an argument of crystal nucleus stability, a simple estimate provides good prediction of the critical gradient. Here, a modified classical nucleation model parameterized with thermodynamic and kinetic quantities calculated independently predicts the nucleation rates and their variation with the imposed gradient, matching the MD results very well.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Direct Monte Carlo Simulations of Chemical Equilibrium Composition of Molecular Fluid Mixtures Under Shock Conditions

A new Monte Carlo simulation method is implemented which holds the number and kind of atoms constant rather than the number and kind of molecules for a molecular fluid mixture. Chemical reactions are allowed as a correlated move of atoms such as an interchange of atoms between molecules. Equilibrium chemical composition is determined as an average over the simulation along with equation of state quantities. Results are presented for N 2 + O 2 → 2NO at 30GPa and 3000K. The equilibrium composition is shown to be sensitive to the potentials between unlike species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Probabilistic simulation of stress concentration in composite laminates

A computational methodology is described to probabilistically simulate the stress concentration factors in composite laminates. This new approach consists of coupling probabilistic composite mechanics with probabilistic finite element structural analysis. The probabilistic composite mechanics is used to probabilistically describe all the uncertainties inherent in composite material properties while probabilistic finite element is used to probabilistically describe the uncertainties associated with methods to experimentally evaluate stress concentration factors such as loads, geometry, and supports. The effectiveness of the methodology is demonstrated by using it to simulate the stress concentration factors in composite laminates made from three different composite systems. Simulated results match experimental data for probability density and for cumulative distribution functions. The sensitivity factors indicate that the stress concentration factors are influenced by local stiffness variables, by load eccentricities and by initial stress fields.

Chamis, C. C.↗
DOE OSTI2016

Protein–Mineral Interactions: Molecular Dynamics Simulations Capture Importance of Variations in Mineral Surface Composition and Structure

Molecular dynamics simulations, conventional and metadynamics, were performed to determine the interaction of model protein Gb1 over kaolinite (001), Na+-montmorillonite (001), Ca2+-montmorillonite (001), goethite (100), and Na+-birnessite (001) mineral surfaces. Gb1, a small (56 residue) protein with a well-characterized solution-state nuclear magnetic resonance (NMR) structure and having α-helix, four-fold β-sheet, and hydrophobic core features, is used as a model protein to study protein soil mineral interactions and gain insights on structural changes and potential degradation of protein. From our simulations, we observe little change to the hydrated Gb1 structure over the kaolinite, montmorillonite, and goethite surfaces relative to its solvated structure without these mineral surfaces present. Over the Na+-birnessite basal surface, however, the Gb1 structure is highly disturbed as a result of interaction with this birnessite surface. Unraveling of the Gb1 β-sheet at specific turns and a partial unraveling of the α-helix is observed over birnessite, which suggests specific vulnerable residue sites for oxidation or hydrolysis possibly leading to fragmentation.

Environmental Molecular Sciences Laboratory↗
NASA NTRS1977

Flight simulation testing of advanced composites for supersonic cruise aircraft applications

The goal of this program is to characterize advanced composite systems before and after exposures to simulated supersonic cruise environments for real times of up to 50,000 hours. Fatigue data for specimens tested at various temperatures and stress ratios are presented. The changes in properties and the degradation mechanisms during high temperature aging are discussed and illustrated using metallographic and fractographic techniques. Initial results of long term flight simulation tests are presented and compared with wearout model predictions based on accelerated flight simulation exposures.

Haskins, J. F.↗
NASA NTRS1994

Probabilistic Simulation of Stress Concentration in Composite Laminates

A computational methodology is described to probabilistically simulate the stress concentration factors (SCF's) in composite laminates. This new approach consists of coupling probabilistic composite mechanics with probabilistic finite element structural analysis. The composite mechanics is used to probabilistically describe all the uncertainties inherent in composite material properties, whereas the finite element is used to probabilistically describe the uncertainties associated with methods to experimentally evaluate SCF's, such as loads, geometry, and supports. The effectiveness of the methodology is demonstrated by using is to simulate the SCF's in three different composite laminates. Simulated results match experimental data for probability density and for cumulative distribution functions. The sensitivity factors indicate that the SCF's are influenced by local stiffness variables, by load eccentricities, and by initial stress fields.

Chamis, C. C.↗
NASA NTRS2024

Tensile Behavior and High-Cycle Fatigue Durability of a SiC/SiC Ceramic-Matrix Composite Without and With Simulated Cooling Holes

High-cycle fatigue (HCF) behavior of a melt-infiltrated, prepreg SiC/SiC composite was investigated using specimens without and with simulated cooling holes at 816 and 1,316 °C. The ceramic-matrix composite (CMC) material used for this study was fabricated by GE Aviation and had a ply configuration of [0/90/0] 3 . HCF tests were conducted with an R-ratio of 0.6 and a cyclic frequency of 30 Hz. Maximum tensile gross-section stresses used in the HCF tests ranged from 152 to 359 MPa. Runout in HCF was defined as 30 million cycles (278 h) at both temperatures. Monotonic tensile tests were conducted at room temperature (RT) on as-received CMC specimens and on HCF runout specimens without and with holes to determine residual tensile strengths. Digital image correlation (DIC) and acoustic emission (AE) techniques were used to monitor progression of damage in RT tensile tests on specimens without and with holes. Fractography was performed on a limited number of specimens without and with holes to determine morphology of fracture surfaces. Representative RT stress-strain behavior, elevated temperature HCF behavior at the two temperatures, and RT residual tensile strengths of HCF runout specimens are documented in this report. Select examples of DIC and AE data from RT tensile tests on specimens without and with holes and typical features observed on fracture surfaces of specimens tested under tensile and HCF conditions are also discussed.

Ceramic matrix composite↗