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At least 19 records

Analytic fits to atom-in-jellium shear modulus predictions

Fits to AJ shear modulus calculations from ρ0 to the limit of the corresponding AJ EOS table (usually 1000 ρ0), adjusted to reproduce STP shear modulus where possible. Fitting minimized the fractional difference, so low-pressure points would be reproduced accurately despite the wide-ranging tabulation. AJ calculations were at T=0. Isochoric variation G(T) has been small for all cases spot-tested so far, and may have either sign. The fitted equation usually matches the AJ data to within a few percent. Between numerical noise in the AJ calculation and probably-physical structure not captured by the equation, the deviation could be up to 20% in some places in most models, and 30% in a few. AJ does not capture structural phase transitions or phases stabilized by directional bonds, where the shear modulus may vary by a greater amount. Where possible, STP ρ,G were used as parameters, and low pressure AJ points were de-weighted or removed if necessary. Otherwise, such as where AJ fails to capture solid phases with a significantly different shear modulus, the AJ data were fitted as far down in pressure as possible, G0 was also fitted if necessary, and ρ0 was also adjusted if needed to keep G0>0. The resulting models are not intended for use at low pressure, though some are probably adequate for practical purposes

36 MATERIALS SCIENCE↗

A comparison of three popular test methods for determining the shear modulus of composite materials

Three popular shear tests (the 10 degree off-axis, the plus or minus 45 degree tensile, and the Iosipescu specimen tested in the modified Wyoming fixture) for shear modulus measurement are evaluated for a graphite-epoxy composite material system. A comparison of the shear stress-strain response for each test method is made using conventional strain gage instrumentation and moire interferometry. The uniformity and purity of the strain fields in the test sections of the specimens are discussed, and the shear responses obtained from each test technique are presented and compared. For accurate measurement of shear modulus, the 90 degree Iosipescu specimen is recommended.

Ho, Henjen↗

A comparison of three popular test methods for determining the shear modulus of composite materials

Three popular shear tests - the 10 deg off-axis, the +/- 45 deg tensile and the Iosipescu specimen tested in the modified Wyoming fixture - for shear modulus measurement are evaluated for a graphite-epoxy composite material system. A comparison of the shear stress-strain response for each test method is made using conventional strain gage instrumentation and moire interferometry. The uniformity and purity of the strain fields in the test sections of the specimens are discussed, and the shear responses obtained from each test technique are presented and compared. For accurate measurement of the shear modulus, the 90 deg Iosipescu specimen is recommended.

Ho, H.↗

Atom-in-jellium predictions of the shear modulus at high pressure

Atom-in-jellium calculations of the Einstein frequency in condensed matter and of the equation of state were used to predict the variation of shear modulus from zero pressure to ~10 7 g/cm 3 , for several elements relevant to white dwarf stars and other self-gravitating systems. This is by far the widest range reported electronic structure calculation of shear modulus, spanning from ambient through the one-component plasma to extreme relativistic conditions. The predictions were based on a relationship between the Debye temperature and shear modulus, which we assess to be accurate at the o(10%) level, and is the first known use of atom-in-jellium theory to calculate a shear modulus. Finally, we assessed the overall accuracy of the method by comparing with experimental measurements and more detailed electronic structure calculations at lower pressures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Shear Modulus for Nonisotropic, Open-Celled Foams Using a General Elongated Kelvin Foam Model

An equation for the shear modulus for nonisotropic, open-celled foams in the plane transverse to the elongation (rise) direction is derived using an elongated Kelvin foam model with the most general geometric description. The shear modulus was found to be a function of the unit cell dimensions, the solid material properties, and the cell edge cross-section properties. The shear modulus equation reduces to the relation derived by others for isotropic foams when the unit cell is equiaxed.

Sullivan, Roy M.↗

The shear modulus of the neutron star crust and nonradial oscillations of neutron stars

Shear moduli are calculated for bcc crystalline and rapidly quenched Coulomb solids produced by the Monte Carlo simulation method. The shear moduli are calculated up to the transition temperature and include the effects of thermal fluctuations. An effective shear modulus appropriate to an approximate 'isotropic' body is introduced. It is found that the values of the 'average shear modulus' for the quenched solids remain about the same as those for the corresponding bcc crystals, although the individual shear moduli of the former, disordered solids deviate considerably from the cubic symmetry of the latter. These results are applied to analyses of neutron star oscillations. It is found that the periods of the two interfacial modes are increased by about 10 percent compared to previous results, and that s-mode periods are increased by about 30 percent. The periods of the f and p modes are hardly affected at all. The surface g-mode periods are not greatly affected, while the t-mode periods are increased by 20-25 percent.

Strohmayer, T.↗

Quantitative relationship between structural orthorhombicity, shear modulus, and heat capacity anomaly of the nematic transition in iron-based superconductors

Electronic nematicity in iron pnictide materials has been extensively studied by various experimental techniques, yet its heat capacity anomaly at the phase transition has not been examined quantitatively. In this paper, we review the thermodynamic description of nematicity in Ba(Fe 1- x Cox) 2 As 2 using the Landau free energy, which defines the behavior of three thermodynamic quantities: the structural orthorhombicity that develops below the nematic transition, the softening shear modulus above the transition, and the discontinuous heat capacity at the transition. We derive a quantitative relationship between these three quantities, which is found to hold for a range of dopings. We report this result shows that the nematic transition is exceedingly well described by a mean-field model in the underdoped regime of the phase diagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

EGS Collab Experiment 2: 4100 Foot Level Elastic Property Data

Static and dynamic elastic properties (Young's modulus, Shear Modulus, P-wave Modulus, and Poisson's Ratio) of amphibolites and rhyolites from the TV4100 and TH4100 boreholes at the Sanford Underground Research Laboratory (SURF). Elastic properties include Young's modulus, Poisson's ratio, shear modulus, and p-wave modulus. Raw data from the experiments and slides describing the experimental procedure and a summary of results are included, along with a readme file with additional definitions and information.

15 GEOTHERMAL ENERGY↗

Three-Dimensional Stress Fields and Slip Systems for Single Crystal Superalloy Notched Specimens

Single crystal superalloys have become increasingly popular for turbine blade and vane applications due to their high strength, and creep and fatigue resistance at elevated temperatures. The crystallographic orientation of a single crystal material greatly affects its material properties, including elastic modulus, shear modulus, and ductility. These directional properties, along with the type of loading and temperature, dictate an anisotropic response in the yield strength, creep resistance, creep rupture ductility, fatigue resistance, etc. A significant amount of research has been conducted to determine the material properties in the <001> orientation, yet the material properties deviating from the <001> orientation have not been assessed for all cases. Based on the desired application and design criteria, a crystal orientation is selected to yield the maximum properties. Currently, single crystal manufacturing is able to control the primary crystallographic orientation within 15 of the target orientation, which is an acceptable deviation to meet both performance and cost guidelines; the secondary orientation is rarely specified. A common experiment is the standard load-controlled tensile test, in which specimens with different orientations can be loaded to observe the material response. The deformation behavior of single-crystal materials under tension and compression is known to be a function of not only material orientation, but also of varying microdeformation (i.e. dislocation) mechanisms. The underlying dislocation motion causes deformation via slip, and affects the activation of specific slip systems based on load and orientation. The slip can be analyzed by observing the visible traces left on the surface of the specimen from the slip activity within the single crystal material. The goal of this thesis was to predict the slip systems activated in three-dimensional stress fields of a notched tensile specimen, as a function of crystal orientation, using finite element analysis without addressing microstructural deformation mechanisms that govern their activation. Out of three orientations tested, the specimen with a [110] load orientation and a [001] growth direction had the lowest maximum resolved shear stress; this specimen orientation appears to be the best design candidate for a tensile application.

Magnan, Shannon M.↗

Materials property changes in ETU-10 graphite due to neutron irradiation at elevated temperatures

Graphite grade ETU-10, from IBIDEN Co., Ltd. Has been irradiated in the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL). The irradiation program was developed to provide a preliminary study the irradiation-induced property changes to the dimensions/volume, elastic properties, strength, electrical resistivity, coefficient of thermal expansion, and thermal diffusivity/conductivity over a range of temperatures and neutron exposures that may be relevant for future nuclear reactors. The irradiation envelope covers a range of irradiation temperatures (300°C–900 °C) and fluences (up to 40 × 10 25 n/m 2 [E > 0.1 MeV] or ~30 dpa) that would be relevant for advanced nuclear reactors. Further, the dimensional change was observed to be anisotropic for an isotropic graphite, the specimen dimensions, volume, Young's modulus, shear modulus, and strength all displayed a parabolic fluence dependence, the electrical resistivity had a rapid rise followed by a decrease and a later increase, at high fluence the mean coefficient of thermal expansions was similar for all irradiation temperatures, and thermal conductivity rapidly decreased followed by a continued loss.

36 MATERIALS SCIENCE↗

Machine learning elastic constants of multi-component alloys

The present manuscript explores application of machine learning methods for determining elastic constants and other derived mechanical properties of multi-component alloys. Here, a number of machine learning models, including linear regression, neural network and random forest based models, are trained and tested on a dataset of binary alloys generated using density functional theory (DFT) calculations and spanning over a large number of elemental species in the periodic table. Starting with a wide range of simple and easily accessible compositionally-averaged elemental features, a correlation-based feature selection strategy was used to systematically down-select a set of most relevant features towards the prediction of the elasticity tensor components. The true predictive performance and the associated uncertainties of the models were established by testing on unseen data and bootstrapping, respectively. A single and pair-wise feature partial dependence analysis was performed to visualize the average property trends in the multi-dimensional feature space in order to further understand the achieved predictive performance. The utility of the trained model is further demonstrated by obtaining sufficiently accurate yet highly efficient approximations for bulk modulus, Young’s modulus, shear modulus and Poisson’s ratio for alloys beyond the binary space (i.e., two-component alloys) on which the model was originally trained. More importantly, we test and validate the predictive performance of the developed model directly against the experimentally measured elastic constants of technologically relevant multi-component alloys (such as, Ni- and Ti-based alloys). Finally, utility of such a data-enabled route is demonstrated by predicting the possible range of various elastic properties for vast composition space available within the five component Ni-Cr-Fe-Mo-W alloy system in a high-throughput manner.

36 MATERIALS SCIENCE↗