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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Mechanical Properties of a Solvated Biomolecule: RGD (1FUV) Peptide

The mechanical properties of proteins/peptides play an essential role in their functionalities and implications, as well as their structure and dynamic properties. Understanding mechanical properties is pivotal to our knowledge of protein folding and the molecular basis of diverse cellular processes. Herein, we present a computational approach using ab initio quantum mechanical calculations to determine the mechanical properties—such as bulk modulus, shear modulus, Young’s modulus, and Poisson’s ratio—of a solvated Arg-Gly-Asp (RGD) peptide model. Since this peptide serves as the RGD-directed integrin recognition site and may participate in cellular adhesion, it is considered a promising small peptide for medicinal applications. This successful approach paves the way for investigating larger and more complex biomolecules.

Biochemistry & Molecular Biology↗
NASA NTRS1987

Mechanical properties and morphology of poly(etheretherKetone)

Mechanical properties and morphology of poly(etheretherketone) (PEEK) were studied for samples having different thermal histories. Isothermal and rate-dependent crystallization were studied to ascertain the relationship between crystallinity/morphology and processing condition. Degree of crystallinity and microstructure were controlled by cooling the melt at different rates, ranging from quenching to slowly cooling, and by annealing amorphous material above the glass transition temperature Tg. It is found that degree of crystallinity was not as important as processing history in determining the room temperature mechanical properties. Samples with the same degree of crystallinity had very different tensile properties, depending on rate of cooling from the melt. All samples yielded by shear band formation and necked down. Quenched films had the largest breaking strains, drawing to 270 percent. Slowly cooled films exhibited ductile failure at relatively low strains. Best combined mechanical properties were obtained from semicrystalline films cooled at intermediate rates from the melt.

Cebe, Peggy↗
NASA NTRS1986

Structure-to-property Relationships in Addition Cured Polymers 2: Resin Tg Composite Initial Mechanical Properties of Norbornenyl Cured Polyimide Resins

PRM (polymerization of monomeric reactants) methodology was used to prepare thirty different polyimide oligomeric resins. Monomeric composition as well as chain length between sites of crosslinks were varied to examine their effects on glass transition temperature (Tg) of the cured/postcured resins. An almost linear correlation of Tg versus molecular distance between the crosslinks was observed. An attempt was made to correlate Tg with initial mechanical properties (flexural strength and interlaminar shear strength) of unidirectional graphite fiber composites prepared with these resins. However, the scatter in mechanical strength data prevented obtaining as clear a correlation as was observed for the structural modification/crosslink distance versus Tg. Instead, only a range of composite mechanical properties was obtained at the test temperatures studied (room temperature, 288 and 316 C). Perhaps more importantly, what did become apparent during the attempted correlation study was: (1) that PMR methodology could be used to prepare composites from resins that contain a wide variety of monomer modifications, and (2) that these composites almost invariably provided satisfactory initial mechanical properties as long as the resins selected were melt processable.

Alston, W. B.↗
DOE OSTI2024

Investigation of acoustic waves under subsurface conditions to improve the predictions of rock mechanical properties and natural fracture characteristics

Mechanical properties and natural fracture characteristics are critical to investigate for subsurface engineering applications, including carbon storage, well drilling, and stimulation, as they govern rock stability, fluid flow, and mechanical behavior under stress. This dissertation integrates experimental and machine learning approaches to enhance the prediction and understanding of these properties by analyzing acoustic wave behavior under varied subsurface conditions. First, the influence of temperature, pore pressure, and supercritical CO2 (scCO2) saturation on poroelastic properties is examined using Gray Berea sandstone samples. The results show that temperature and pore pressure significantly affect the bulk modulus and Biot’s coefficient, while scCO2 saturation impacts rock compressibility, informing strategies for effective geological carbon storage. The study extends this understanding by experimentally evaluating the impact of reservoir depletion on the dynamic mechanical properties of the emerging Caney shale in South Oklahoma with the employment of unsupervised machine learning to predict static mechanical properties across the Caney shale. Integrating petrophysical data and chemostratigraphy, the workflow—featuring K-means clustering, principal component analysis (PCA), and inverse distance weighting (IDW)—improves stratigraphic characterization and the estimation of static-to-dynamic modulus ratios, which is vital for optimizing drilling and stimulation strategies. Finally, the work explores how natural fracture characteristics in shale influence acoustic waveforms and shear wave splitting (SWS) analysis. Experimental data on fractured samples under different stress and temperature conditions, combined with machine learning models such as K-nearest neighbors (KNN) and extreme gradient boosting (XGBoost), reveal key fracture properties impacting SWS and wave propagation. Together, these studies provide a comprehensive framework for linking acoustic wave behavior with rock properties, advancing the methods for monitoring and predicting geomechanical changes. The insights offered valuable implications for safer, more efficient CO2 injection, hydrocarbon extraction, and subsurface management.

Elkholy, Sherif↗
NASA NTRS1986

Structure-to-property relationships in addition cured polymers. II - Resin Tg and composite initial mechanical properties of norbornenyl cured polyimide resins

PRM (polymerization of monomeric reactants) methodology was used to prepare thirty different polyimide oligomeric resins. Monomeric composition as well as chain length between sites of crosslinks were varied to examine their effects on glass transition temperature (Tg) of the cured/postcured resins. An almost linear correlation of Tg versus molecular distance between the crosslinks was observed. An attempt was made to correlate Tg with initial mechanical properties (flexural strength and interlaminar shear strength) of unidirectional graphite fiber composites prepared with these resins. However, the scatter in mechanical strength data prevented obtaining as clear a correlation as was observed for the structural modification/crosslink distance versus Tg. Instead, only a range of composite mechanical properties was obtained at the test temperatures studied (room temperature, 288 and 316 C). Perhaps more importantly, what did become apparent during the attempted correlation study was: (1) that PMR methodology could be used to prepare composites from resins that contain a wide variety of monomer modifications, and (2) that these composites almost invariably provided satisfactory initial mechanical properties as long as the resins selected were melt processable.

Alston, William B.↗
NASA NTRS1970

Thermal treatment and mechanical properties of aluminum-2021

Mechanical properties, after thermal treatments, are summarized for sheet and plate of copper-rich, high-strength, heat-treatable aluminum-2021. The alloy is quench sensitive, quench rate and variations in aging affect corrosion behavior. Aging effects on yield strength, tensile strength, and elongation of sheet and plate are compared.

Brennecke, M. W.↗
NASA NTRS1990

Matrix density effects on the mechanical properties of SiC fiber-reinforced silicon nitride matrix properties

The room temperature mechanical properties were measured for SiC fiber reinforced reaction-bonded silicon nitride composites (SiC/RBSN) of different densities. The composites consisted of approx. 30 vol percent uniaxially aligned 142 micron diameter SiC fibers (Textron SCS-6) in a reaction-bonded Si3N4 matrix. The composite density was varied by changing the consolidation pressure during RBSN processing and by hot isostatically pressing the SiC/RBSN composites. Results indicate that as the consolidation pressure was increased from 27 to 138 MPa, the average pore size of the nitrided composites decreased from 0.04 to 0.02 microns and the composite density increased from 2.07 to 2.45 gm/cc. Nonetheless, these improvements resulted in only small increases in the first matrix cracking stress, primary elastic modulus, and ultimate tensile strength values of the composites. In contrast, HIP consolidation of SiC/RBSN resulted in a fully dense material whose first matrix cracking stress and elastic modulus were approx. 15 and 50 percent higher, respectively, and ultimate tensile strength values were approx. 40 percent lower than those for unHIPed SiC/RBSN composites. The modulus behavior for all specimens can be explained by simple rule-of-mixture theory. Also, the loss in ultimate strength for the HIPed composites appears to be related to a degradation in fiber strength at the HIP temperature. However, the density effect on matrix fracture strength was much less than would be expected based on typical monolithic Si3N4 behavior, suggesting that composite theory is indeed operating. Possible practical implications of these observations are discussed.

Bhatt, Ramakrishna T.↗
NASA NTRSDate not supplied

Multi-Scale Analysis of Effective Mechanical Properties of Porous 3D Woven Composite Materials

This work aims to compute and analyze the mechanical properties of 3D woven composite materials that share the same yarn structure but differ in their matrix porosity and yarn's fiber volume fraction. Assuming linear elastic behavior, NASA's PuMA software was used to characterize the different composites from their constituents' data, averaging their elastic properties in three main directions to obtain their effective orthotropic mechanical properties. This was performed in three steps: firstly, the porous matrix phase was analyzed at the micro-scale; then, these results were used, along with the mechanical properties of the fibers, to model the yarns at the meso-scale; finally, results from the constituents were homogenized and used to model the mechanical behavior of the unit cell at the macro-scale. The 3D woven composite materials selected for this study are made of a mixture of phenolic resin with porosity values between 0 and 0.6, and infiltrated carbon fiber yarns with fiber volume fractions between 0.5 and 0.8. Results from this study show the effect of different matrix porosities and fiber volume fractions on the macro-scale mechanical properties, and were validated through theoretical and semi-empirical expressions found in the literature.

3D woven materials↗
NASA NTRS1982

Mechanical properties of low tantalum alloys

The mechanical property behavior of equiaxed cast B-1900 + Hf alloy as a function of tantalum content was studied. Tensile and stress rupture characterization was conducted on cast to size test bars containing tantalum at the 4.3% (standard level), 2.2% and 0% levels. Casting parameters were selected to duplicate conditions used to prepare test specimens for master metal heat qualification. The mechanical property results as well as results of microstructural/phase analysis of failed test bars are presented.

Kortovich, C. S.↗
NASA NTRS1979

Mechanical property characterization of intraply hybrid composites

An investigation of the mechanical properties of intraply hybrids made from graphite fiber/epoxy matrix hybridized with secondary S-glass or Kevlar 49 fiber composites is presented. The specimen stress-strain behavior was determined, showing that mechanical properties of intraply hybrid composites can be measured with available methods such as the ten-degree off-axis test for intralaminar shear, and conventional tests for tensile, flexure, and Izod impact properties. The results also showed that combinations of high modulus graphite/S-glass/epoxy matrix composites exist which yield intraply hybrid laminates with the best 'balanced' properties, and that the translation efficiency of mechanical properties from the constituent composites to intraply hybrids may be assessed with a simple equation.

Chamis, C. C.↗
DOE OSTI2024

Impact of hydrogenation on the stability and mechanical properties of amorphous boron nitride

Abstract Interconnect materials with ultralow dielectric constant, and good thermal and mechanical properties are crucial for the further miniaturization of electronic devices. Recently, it has been demonstrated that ultrathin amorphous boron nitride (aBN) films have a very low dielectric constant, high density (above 2.1 g cm −3 ), high thermal stability, and mechanical properties. The excellent properties of aBN derive from the nature and degree of disorder, which can be controlled at fabrication, allowing tuning of the physical properties for desired applications. Here, we report an improvement in the stability and mechanical properties of aBN upon hydrogen doping. With the introduction of a Gaussian approximation potential for atomistic simulations, we investigate the changing morphology of aBN with varying H doping concentrations. We found that for 8 at% of H doping, the concentration ofsp 3 -hybridized atoms reaches to a maximum which leads to an improvement of thermal stability and mechanical properties by 20%. These results will be a guideline for experimentalists and process engineers to tune the growth conditions of aBN films for numerous applications.

Materials Science↗
NASA NTRS1992

Sintering time and atmosphere influences on the microstructure and mechanical properties of tungsten heavy alloys

The present paper traces the microstructure and mechanical property variations vs sintering time under conditions where the atmosphere was adjusted to suppress pore generation. Attention is given to tracing the mechanical property links to the grain size under optimized sintering conditions. The optimal cycle is used to sinter two heavy alloy compositions (88 and 95 wt pct W) for times up to 600 minutes at 1480 C. The 88-pct-W samples slumped, but the 95-pct-W samples were fully densified and suitable for tensile testing. At long sintering times, the tungsten grains flattened and the tungsten contiguity decreased, indicating a transition to low-energy configurations for the solid-liquid interfaces. The cube of the mean grain size varied linearly with the isothermal sintering time. This allowed the determination of grain size effects on mechanical properties, showing a decreasing yield strength with increasing time in agreement with the Hall-Petch behavior. The tensile strength and elongation were highest for sintering times from 30 to 90 min, reflecting a minimum in the residual porosity.

German, R. M.↗
NASA NTRSDate not supplied

Multi-Scale Analysis of Effective Mechanical Properties of 3D Woven Composite Materials

This work aims to compute and analyze the mechanical properties of 3D woven composite materials that share the same yarn structure but differ in their matrix porosity and fiber volume fraction. Assuming linear elastic behavior, the software PuMA, developed at NASA, was used to characterize the different composites from their constituents' data averaging their elastic properties in three main directions to obtain their effective orthotropic mechanical properties. This was performed in three steps: firstly, the different phases (yarns/matrix) were analyzed as anisotropic materials separately at the micro-scale; then, the results from these analyses were homogenized and used to obtain the anisotropic elasticity tensor at the meso-scale for the different woven materials; and finally, assuming orthotropic mechanical behavior for the unit cell the mechanical properties were obtained at the macro-scale. The 3D woven composite materials selected for this study are made of phenolic resin with porosity values between 0 and 0.6, and resin infiltrated carbon fiber with volume fractions between 0.5 and 0.9 for the yarns. Results from PuMA were validated with external FEA simulations for the non-porous 3D woven material with a fiber volume fraction of 0.9 in the yarns. Results will be included in the final paper after completing the study detailed in Section II.

Sergio Fraile Izquierdo↗
DOE OSTI2025

Temperature-Dependent Mechanical Properties of Ni-Based Concentrated Alloys: Insights from First-Principles Calculations

The present work focuses on predicting temperature-dependent mechanical properties of Ni-based concentrated alloys Ni 18 Cr 10 Co 10 Fe 6 M 4 (abbreviated by X 44 M 4 , with M = Al, V, Mn, Fe, Nb, Mo, and W) using density functional theory (DFT). These predictions are based on shear (plastic) and elastic deformations, utilizing the special quasirandom structure (SQS), the phonon-based quasiharmonic approach (QHA), and the quasistatic approach. The resulting properties include coefficient of thermal expansion via QHA, ideal shear strength (τ IS ), and stable and unstable stacking fault energies (γ SF and γ US ) through pure alias shear deformation, and elastic constants (c ij ), bulk modulus (B 0 ), and shear modules (G 0 ) via elastic deformation. Notably, predicting accurate γ SF is challenging due to uncertainties that can exceed the γ SF values. τ IS and γ US exhibit a strong linear relationship, enabling the accurate prediction of γ US based on the precisely determined τ IS . All mechanical properties of X 44 M 4 decrease with increasing temperature, except for some γ SF cases such as X 44 M 4 with M = V, Mn, Fe, Mo, and W. Among the X 44 M 4 alloys, X 44 Nb 4 exhibits the lowest τ IS , γ US , and G 0 values, and the highest B 0 /G 0 ratio, while X 44 Mn 4 has the lowest B 0 and B 0 /G 0 ratio. We found that volume is a crucial descriptor for understanding and modeling mechanical properties (except B0 and maybe also γ SF ) affected by alloying elements and temperature. Ni-based dilute alloys (e.g., Ni 11 M 1 and Ni 31 M 1 ) and concentrated alloys (e.g., X 44 M 4 ) show similar trends in mechanical properties influenced by alloying elements and temperature, simplifying the analysis and design of Ni-based alloys.

Elastic properties↗
NASA NTRS1981

Static and yawed-rolling mechanical properties of two type 7 aircraft tires

Selected mechanical properties of 18 x 5.5 and 49 x 17 size, type 7 aircraft tires were evaluated. The tires were subjected to pure vertical loads and to combined vertical and lateral loads under both static and rolling conditions. Parameters for the static tests consisted of tire load in the vertical and lateral directions, and parameters for the rolling tests included tire vertical load, yaw angle, and ground speed. Effects of each of these parameters on the measured tire characteristics are discussed and, where possible, compared with previous work. Results indicate that dynamic tire properties under investigation were generally insensitive to speed variations and therefore tend to support the conclusion that many tire dynamic characteristics can be obtained from static and low speed rolling tests. Furthermore, many of the tire mechanical properties are in good agreement with empirical predictions based on earlier research.

Tanner, J. A.↗