Search NASA⌕ Search

SEARCH · Search NASA

Results for “effective elastic moduli”

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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Effect of laminae count and manufacturing methods on mechanical properties of thin‐ply woven composites

Abstract Thin‐ply woven composites exhibit exceptional mechanical performance by delaying the onset of damage, making them suitable for high‐performance structural applications. This study outlines the impact of manufacturing techniques (vacuum bagging and hot pressing), ply count, and fiber waviness on the mechanical properties of aromatic thermosetting copolyester/carbon‐fiber (ATSP/CF) composites. The analysis encompasses several different ply counts, evaluating their effects on the in‐plane elastic modulus (0°–90°) and tensile strength. Results demonstrate that reducing the waviness (or crimp) ratio significantly enhances the in‐plane elastic modulus, with improvements up to 188%, highlighting the importance of fiber alignment. Vacuum bagging produced ply thicknesses from 128 to 58 μm for 1–36 plies, with in‐plane elastic moduli from 30.3 to 87.2 GPa, and 4‐ and 8‐ply samples showed approximately 40% higher stiffness than those made by hot pressing. ATSP resin with high thermal stability (up to 400°C) and recyclability was used. Furthermore, this study highlights the microstructural enhancements achieved through vacuum bagging, as revealed by scanning electron and optical microscopy, and micro‐computed tomography imaging. This paper provides insights into damage mitigation and achieving enhanced mechanical properties by controlling fiber waviness using vacuum bagging and higher ply count in thin‐ply ATSP/CF composites. Highlights Crimp ratio reduction enhances elastic in‐plane elastic modulus up to 188%. Vacuum bagging increases modulus over the hot pressing manufacturing method by 40%. Lowering thickness‐per‐ply increases failure strain from 0.8% to 1.2%. Explored the performance of a novel ATSP matrix with high recyclability and thermal stability.

Kushwaha, Shashank [The Grainger College of Engine↗
DOE OSTI2023

Understanding the effect of specimen size on the properties of fine-grain isotropic nuclear graphite for irradiation studies: Physical, electrical, thermal properties

Programs at Oak Ridge National Laboratory are investigating the effects of neutron irradiation in the High Flux Isotope Reactor (HFIR) on properties of fine-grain nuclear graphites. Specimens were irradiated in the HFIR flux trap, which required using specimens that are smaller than the sizes recommended by ASTM standards. Here, this work has investigated whether subsized specimens can be used to reliably determine the measured physical (density, elastic moduli, and electrical resistivity) and thermal properties (coefficient of thermal conductivity and thermal conductivity). The results show the specimen sizes in this investigation had a minimal influence on any of the measured properties. Even for the properties where size influenced the measured value (density and thermal conductivity), an explanation is provided, and the consequences can be accounted for in post-irradiation results. This work demonstrated that using subsized specimens for physical and thermal property measurements is suitable when necessary for fine-grain isotropic graphite.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Comparing the influence of cation order and composition in simulated Zn(Sn, Ge)N 2 on structure, elastic moduli, and polarization for solid state lighting

Alloying and site ordering play complementary roles in dictating a material’s properties. However, deconvolving the impacts of these separate phenomena can be challenging. In this work, we simulate structures of Zn(Sn,Ge)N 2 with varied Sn content and site ordering to determine the impacts of order and composition on structural and electronic properties. We assess the formation enthalpy, lattice parameters, elastic constants, spontaneous polarization, and piezoelectric coefficients. In mostly disordered structures (order parameters ranging from 0.2 to 0.4), the formation enthalpy exhibits local extrema as a function of the order parameter, deviating from the more linear trends seen in both fully disordered and fully ordered systems. This anomalous deviation from the otherwise linear trend in formation enthalpy with order manifests in each of the other properties calculated. This range of order parameters of interest may be caused by a transition in the ordering of the quaternary material similar to phase changes seen in ternary compounds but stretched over a region inclduing 20% of the order parameter range. Most parameters calculated are more sensitive to order than to composition in the limited composition range tested; however, the lattice parameter c, piezoelectric coefficient e 33 , and elastic moduli C 12 , C 13 , and C 23 are more sensitive to composition. Of the properties compared, the piezoelectric coefficients are influenced most significantly by changes in both the composition and order parameter. Lattice parameters undergo the smallest changes with order and composition, but these small differences appear to impart large trends in the other properties. Better understanding the effects of disorder and group IV alloying in Zn(Sn,Ge)N 2 allows for more accurate modeling of characteristics of this material system for solid state lighting and other applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Adaptation of Wallace's approach to the specific heat of elemental solids with significant intrinsic anharmonicity, particularly the light actinide metals

The quasiharmonic approximation is the most common method for modeling the specific heat of solids; however, it fails to capture the effects of intrinsic anharmonicity. In this study, we introduce the “elastic softening approximation,” an alternative approach to modeling intrinsic anharmonic effects on thermodynamic quantities, which is grounded in Wallace's thermodynamic framework that tracks entropy changes resulting from the continuous change (e.g., softening) of phonons as a function of temperature. A key finding of our study is a correlation between Poisson's ratio and the differential rate of phonon softening at finite frequencies, compared to lower frequencies relevant to elastic moduli measurements. We observe that elemental solids such as α -Be, diamond, Al, Cu, In, W, Au, and Pb, which span a wide range of Poisson's ratios and exhibit varying degrees of intrinsic anharmonicity, consistently follow this trend. When applied to α -U, α -Pu, and δ -Pu, our method reveals unusually large anharmonic phonon contributions at elevated temperatures across all three light actinide metals. These findings are attributed to the unique combination of enhanced covalency and softer elastic moduli inherent in the actinides, potentially influenced by their 5 f -electron bonding. Published by the American Physical Society 2025

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effects of Strain Rate and Temperature on the Mechanical Properties of Simulated Silica Ionogels

Ionogels are hybrid materials formed by impregnating the pore space of a solid matrix with a conducting ionic liquid. By combining the properties of both component materials, ionogels can act as self-supporting electrolytes in Li batteries. In this study, molecular dynamics simulations are used to investigate the dependence of mechanical properties of silica ionogels on solid fraction, temperature, and pore width. Comparisons are made with corresponding aerogels. We find that the solid matrix fraction increases the moduli and strength of the ionogel. This varies nonlinearly with temperature and strain rate, according to the contribution of the viscous ionic liquid to resisting deformation. Additionally, owing to the temperature and strain sensitivity of the ionic liquid viscosity, the mechanical properties approach a linear mixing law at high temperature and low strain rates. The median pore width of the solid matrix plays a complex role, with its influence varying qualitatively with deformation mode. Narrower pores increase the relevant elastic modulus under shear and uniaxial compression but reduce the modulus obtained under uniaxial tension. Conversely, shear and tensile strength are increased by narrowing the pore width. All of these pore size effects become more pronounced as the silica fraction increases. Pore size effects, similar to the effects of temperature and strain rate, are linked to the ease of fluid redistribution within the pore space during deformation-induced changes in the geometry of the pores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Probing iron in Earth’s core with molecular-spin dynamics

Dynamic compression of iron to Earth-core conditions is one of the few ways to gather important elastic and transport properties needed to uncover key mechanisms surrounding the geodynamo effect. Herein, a machine-learned ab initio derived molecular-spin dynamics (MSD) methodology with explicit treatment for longitudinal spin-fluctuations is utilized to probe the dynamic phase-diagram of iron. This framework uniquely enables an accurate resolution of the phase-transition kinetics and Earth-core elastic properties, as highlighted by compressional wave velocity and adiabatic bulk moduli measurements. In addition, a unique coupling of MSD with time-dependent density functional theory enables gauging electronic transport properties, critically important for resolving geodynamo dynamics.

58 GEOSCIENCES↗
DOE OSTI2023

The effect of ink ball milling time on interparticle interactions and ink microstructure and their influence on crack formation in rod-coated catalyst layers

This work investigates the influence of ballmilling (sometimes also referred to as jar roller milling) time on cathode catalyst layer (CL) inks and electrode properties using formulations and coating methods relevant for industrial manufacturing. Four CL inks with the same composition were milled for 24, 48, 72, or 96 h. Rheological investigation of these inks showed a reduction of elastic moduli and steady-shear viscosity with continuous ink milling, which is correlated to a decrease in particle-particle interactions as well as formation of smaller agglomerates. Optical microscopy (OM) analysis of the fabricated electrodes revealed a trend in surface crack formation; formulations milled for 24 h contained the lowest average surface crack area percentages of 0.370% at heavy-duty loadings of ~0.300 mg Pt cm -2 , compared to 2.418% for the ink milled for 96 h. Further characterization of the CL through transmission electron microscopy (TEM) imaging showed a decrease in the mean agglomerate and pore size with milling time. Furthermore, these smaller electrode features were consistent with reduced fracture resistance and, hence, development of larger stresses during drying. Our results highlight the need to consider ink processing as an important component in defect-free CL manufacturing.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

A density functional theory and neutron diffraction study of the ambient condition properties of sub-stoichiometric yttrium hydride

Several mechanical and thermophysical properties are required as a function of non-stoichiometry for the successful implementation of YH 2-x for nuclear reactor moderator applications. Density functional theory calculations, in combination with neutron diffraction experiments, were used to study the structural and mechanical properties of YH 2-x . Point defect analysis indicated H occupation primarily at the tetrahedral site within an fcc Y sub-lattice, confirming a fluorite YH 2 structure. The small positive formation energy for H vacancies under Y-rich conditions predicted that hypo-stoichiometry is accommodated by Y+YH 2 at ambient conditions and by H vacancies in the YH 2-x single phase that is relevant to high temperatures. Neutron diffraction studies were used to confirm both the occupation of H on tetrahedral sites and the near-stoichiometric composition of the hydride phase in the two-phase Y+YH 2 region of the phase diagram that dominates at room temperature. Energy minimized special-quasirandom-structures of H vacancies were used to calculate lattice parameters, elastic constants, and several other properties as a function of composition for the single phase YH 2-x . The lattice parameter of YH 2-x decreased by only 0.004 Å with increasing H/Y for the range 1.31 ≤ H / Y ≤ 2.0 indicating a negligible effect on lattice parameters due to vacancy formation. In the two-phase region, however, calculations predicted the density of z Y + ( 1 - z ) Y H 2 - x to increase with decreasing H/Y at lower temperatures due to the increased fraction of high-density Y metal. Additionally, for the high temperature single phase, decreasing H/Y reduced the density as a consequence of the lattice expansion associated with vacancy formation. All elastic constants and moduli increased with increasing hydrogen content in single-phase YH 2-x .

36 MATERIALS SCIENCE↗
DOE OSTI2021

Sound velocities in shock-compressed soda lime glass: Melting and liquid-state response

Longitudinal sound velocities (and elastic moduli) were determined in soda lime glass (SLG) at peak shock stresses ranging between 40 and 90 GPa. Laser interferometry was used to obtain particle velocity histories and sound velocities by impacting SLG samples on lithium fluoride (LiF) optical windows. In all experiments, the SLG response consists of a sharp jump to a constant state followed by a release wave. The measured longitudinal sound velocities and moduli showed a marked decrease between 52 and 58 GPa, providing experimental evidence for the transformation from an amorphous solid to a liquid in shock-compressed SLG. Furthermore, the stress threshold (~55 GPa) for melting in SLG is considerably lower than the threshold reported in shock-compressed fused silica (~72 GPa), showing the effect of network-modifying cations on the onset of melting. The relative values of sound velocities, shock velocities, and the Hugoniot slopes—between 58 and 90 GPa—are fully consistent with the thermodynamic response of a shock-compressed liquid. Using the experimental results, the Grüneisen parameter (Γ) values were determined for liquid SLG to 90 GPa and then used to provide the Mie-Grüneisen equation of state for liquid SLG.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Effect of constitutive law on the erythrocyte membrane response to large strains

Three constitutive laws, that is the Skalak, neo-Hookean and Yeoh laws, commonly employed for describing the erythrocyte membrane mechanics are theoretically analyzed and numerically investigated to assess their accuracy for capturing erythrocyte deformation characteristics and morphology. In this work, particular emphasis is given to the nonlinear deformation regime, where it is known that the discrepancies between constitutive laws are most prominent. Hence, the experiments of optical tweezers and micropipette aspiration are considered here, for which relationships between the individual shear elastic moduli of the constitutive laws can also be established through analysis of the tension-deformation relationship. All constitutive laws were found to adequately predict the axial and transverse deformations of a red blood cell subjected to stretching with optical tweezers for a constant shear elastic modulus value. As opposed to Skalak law, the neo-Hookean and Yeoh laws replicated the erythrocyte membrane folding, that has been experimentally observed, with the trade-off of sustaining significant area variations. For the micropipette aspiration, the suction pressure-aspiration length relationship could be excellently predicted for a fixed shear elastic modulus value only when Yeoh law was considered. Importantly, the neo-Hookean and Yeoh laws reproduced the membrane wrinkling at suction pressures close to those experimentally measured. None of the constitutive laws suffered from membrane area compressibility in the micropipette aspiration case.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

The Elastic Properties of β-Mg 2 SiO 4 Containing 0.73 wt.% of H 2 O to 10 GPa and 600 K by Ultrasonic Interferometry with Synchrotron X-Radiation

Here, we measured the elastic velocities of a synthetic polycrystalline β-Mg 2 SiO 4 containing 0.73 wt.% H 2 O to 10 GPa and 600 K using ultrasonic interferometry combined with synchrotron X-radiation. Third-order Eulerian finite strain analysis of the high P and T data set yielded K so = 161.5(2) GPa, G o = 101.6(1) GPa, and (∂K s /∂P) T = 4.84(4), (∂G/∂P) T = 1.68(2) indistinguishable from K so = 161.1(3) GPa, G o = 101.4(1) GPa, and (∂K s /∂P) T = 4.93(4), (∂G/∂P) T = 1.73(2) from the linear fit. The hydration of the wadsleyite by 0.73 wt.% decreases K s and G moduli by 5.3% and 8.6%, respectively, but no measurable effect was noted for (∂K s /∂P) T and (∂G/∂P) T . The temperature derivatives of the K s and G moduli from the finite strain analysis (∂K S /∂T) P = –0.013(2) GPaK –1 , (∂G/∂T) P = –0.015(0.4) GPaK –1 , and the linear fit (∂K S /∂T) P = –0.015(1) GPaK –1 , (∂G/∂T) P = –0.016(1) GPaK –1 are in agreement, and both data sets indicating the |(∂G/∂T) P | to be greater than |(∂K S /∂T) P |. Calculations yield ΔV p(α-β) = 9.88% and ΔV S(α-β) = 8.70% for the hydrous β-Mg 2 SiO 4 and hydrous α-Mg 2 SiO 4 , implying 46–52% olivine volume content in the Earth’s mantle to satisfy the seismic velocity contrast ΔV s = ΔV P = 4.6% at the 410 km depth.

58 GEOSCIENCES↗
DOE OSTI2022

Atoms to fibers: Identifying novel processing methods in the synthesis of pitch-based carbon fibers

Understanding and optimizing the key mechanisms used in the synthesis of pitch-based carbon fibers (CFs) are challenging, because unlike polyacrylonitrile-based CFs, the feedstock for pitch-based CFs is chemically hetero- geneous, resulting in complex fabrication leading to inconsistency in the final properties. In this work, we use molecular dynamics simulations to explore the processing and chemical phase space through a framework of CF models to identify their effects on elastic performance. The results are in excellent agreement with experiments. We find that density, followed by alignment, and functionality of the molecular constituents dictate the CF mechanical properties more strongly than their size and shape. Last, we propose a previously unexplored fabrication route for high-modulus CFs. Unlike graphitization, this results in increased sp 3 fraction, achieved via generating high-density CFs. In addition, the high sp 3 fraction leads to the fabrication of CFs with isometric compressive and tensile moduli, enabling their potential applications for compressive loading.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Strong magnetoelastic coupling in Mn 3 X ( X = Ge , Sn)

Here we measure the full elastic tensors of Mn 3 Ge and Mn 3 Sn as a function of temperature through their respective antiferromagnetic phase transitions. Large discontinuities in the bulk moduli at the Néel transitions indicate strong magnetoelastic coupling in both compounds. Strikingly, the discontinuities are nearly a factor of 10 larger in Mn 3 Ge than in Mn 3 Sn. We use the magnitudes of the discontinuities to calculate the pressure derivatives of the Néel temperature, which are 39 K/GPa 14.3 K/GPa for Mn 3 Ge and Mn 3 Sn, respectively. We measured the in-plane shear modulus c 66 , which couples strongly to the magnetic order, in magnetic fields up to 18 T and found quantitatively similar behavior in both compounds. Recent measurements have demonstrated strong piezomagnetism in Mn 3 Sn : Our results suggest that Mn 3 Ge may be an even better candidate for this effect.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Evolution of elastic and thermal properties of cementitious composites containing micro-size lightweight fillers after exposure to elevated temperature

This work studies the evolution of elastic and thermal properties of cementitious composites containing micro-size lightweight fillers after exposure to elevated temperatures (up to 800 °C). A multiscale investigation is carried out to study the thermal degradation of cementitious composite materials at multiple scale levels: at cement past level, the dehydration kinetics of cement hydrates (i.e., C–S–H, CH and aluminate hydrates) and development of microcracks are studied as functions of exposure temperatures. The damage mechanism of the inclusion phases and damages within the interfacial transition zone (ITZ) under elevated temperature are also investigated. In addition, the change of mechanical (i.e., elastic moduli, compressive strengths) and thermal (thermal conductivities) properties are measured as functions of the exposure temperature. Based on the experimental studies, a multiscale thermal degradation model is developed where the thermal degradations of cement paste (including water composition, porosity, and solid phase changes), inclusion phases, and the interfaces are captured through a multiscale sub-stepping homogenization scheme. The thermal degradation model is validated through multiple sets of experimental data. Finally, the influence of key parameters including the particle size distribution of the inclusions, the chemical composition, as well as the effects of ITZ damage are studied.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Mechanical Response of Castlegate Sandstone under Hydrostatic Cyclic Loading

The stress history of rocks in the subsurface affects their mechanical and petrophysical properties. Rocks can often experience repeated cycles of loading and unloading due to fluid pressure fluctuations, which will lead to different mechanical behavior from static conditions. This is of importance for several geophysical and industrial applications, for example, wastewater injection and reservoir storage wells, which generate repeated stress perturbations. Laboratory experiments were conducted with Castlegate sandstone to observe the effects of different cyclic pressure loading conditions on a common reservoir analogue. Each sample was hydrostatically loaded in a triaxial cell to a low effective confining pressure, and either pore pressure or confining pressure was cycled at different rates over the course of a few weeks. Fluid permeability was measured during initial loading and periodically between stress cycles. Samples that undergo cyclic loading experience significantly more inelastic (nonrecoverable) strain compared to samples tested without cyclic hydrostatic loading. Permeability decreases rapidly for all tests during the first few days of testing, but the decrease and variability of permeability after this depend upon the loading conditions of each test. Cycling conditions do affect the mechanical behavior; the elastic moduli decrease with the increasing loading rate and stress cycling. The degree of volumetric strain induced by stress cycles is the major control on permeability change in the sandstones, with less compaction leading to more variation from measurement to measurement. The data indicate that cyclic loading degrades permeability and porosity more than static conditions over a similar period, but the petrophysical properties are dictated more by the hydrostatic loading rate rather than the total length of time stress cycling is imposed.

58 GEOSCIENCES↗
DOE OSTI2024

Insights on the structure and properties of sodium iron phosphate glasses from molecular dynamics simulations

Iron phosphate glasses are promising nuclear waste forms while more detailed understanding of their structures and structure-property relations are still needed to better design waste glass compositions. In this work we report studies of three series of sodium iron phosphate (NFP) glasses: 60P 2 O 5 -(40-x)Fe 2 O 3 -xNa 2 O (x = 0→40), (100–2x)P 2 O 5 -xFe 2 O 3 -xNa 2 O (x = 5→17.5) and one with different iron redox ratio, to understand the composition as well as the iron redox effects on the structure and properties of these glasses using molecular dynamics simulations with effective two-body and three-body potentials. Structural analyses, including pair distribution function, bond angle distribution, Q n distribution, and polyhedral connectivity, were performed to obtain in-depth information on short-range and medium-range structural features. The P-O pair distributions showed a first peak splitting with phosphorus-bridging and non-bridging oxygen contributions. This and the average P-O and other cation-oxygen bond distances are in excellent agreement with experiments. The coordination number of P 5+ remained four while that of Fe 3+ increased from 4.30 to 4.72 with decreasing Fe/Na ratio. Polyhedral linkage analysis showed [PO 4 ] units linked with [PO 4 ] and [FeO x ] through corner-sharing while the [PO 4 ]-[FeO x ] linkages become dominant for compositions with Fe 2 O 3 larger than 15 mol%. The effect of iron redox ratio on the structure of NFP glasses was also studied and it was found that bond lengths and coordination numbers were not strongly affected, while the reduction of iron introduced higher network distortions, as evident by O-P-O bond angle and Q n distribution. The glass transition temperature (T g ) showed a monotonic increase with Fe 2 O 3 in the first series, in good agreement with experiments, while those of the second series showed a maximum at P 2 O 5 = 82 mol%. Here, calculated elastic moduli were found to increase with Fe 2 O 3 in the first glass series, which was be explained by the increase of network connectivity, while those of the second series decrease with Fe 2 O 3 due to decrease of P 2 O 5 .

36 MATERIALS SCIENCE↗
DOE OSTI2022

Reversible ordering and disordering of the vortex lattice in UPt 3

When studied by small-angle neutron scattering the vortex lattice (VL) in UPt 3 undergoes a gradual disordering as a function of time due to 235 U fission. This temporarily heats regions of the sample above the critical temperature, where, upon re-cooling, the vortices remain in a quenched disordered state. Furthermore, the disordering rate is proportional to the magnetic field, suggesting that it is governed by collective VL properties such as the elastic moduli. An ordered VL can be re-formed by applying a small field oscillation, showing that the fission does not cause detectable radiation damage to the UPt 3 crystals, even after long exposure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

The Effect of the SEI Layer Mechanical Deformation on the Passivity of a Si Anode in Organic Carbonate Electrolytes

The solid electrolyte interphase (SEI) on a Si negative electrode in carbonate-based organic electrolytes shows intrinsically poor passivating behavior, giving rise to unsatisfactory calendar life of Li-ion batteries. Moreover, mechanical strains induced in the SEI due to large volume changes of Si during charge-discharge cycling could contribute to its mechanical instability and poor passivating behavior. This study elucidates the influence that static mechanical deformation of the SEI has on the rate of unwanted parasitic reactions at the Si/electrolyte interface as a function of electrode potential. Further, the experimental approach involves the utilization of Si thin-film electrodes on substrates with disparate elastic moduli, which either permit or suppress the SEI deformation in response to Si volume changes upon charging-discharging. We find that static mechanical stretching and deformation of the SEI results in an increased parasitic electrolyte reduction current on Si. Furthermore, attenuated total reflection and near-field Fourier-transform infrared nanospectroscopy reveal that the static mechanical stretching and deformation of the SEI fosters a selective transport of linear carbonate solvent through, and nanoconfinement within, the SEI. These, in turn, promote selective solvent reduction and continuous electrolyte decomposition on Si electrodes, reducing the calendar life of Si anode-based Li-ion batteries. Finally, possible correlations between the structure and chemical composition of the SEI layer and its mechanical and chemical resilience under prolonged mechanical deformation are discussed in detail.

25 ENERGY STORAGE↗