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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Dynamical systems and nonlinear transient rheology of the far-from-equilibrium Bjorken flow

In relativistic kinetic theory, the one-particle distribution function is approximated by an asymptotic perturbative power series in the Knudsen number which is divergent. For the Bjorken flow, we expand the distribution function in terms of its moments and study their nonlinear evolution equations. The resulting coupled dynamical system can be solved for each moment consistently using a multiparameter transseries which makes the constitutive relations inherit the same structure. A new nonperturbative dynamical renormalization scheme is born out of this formalism that goes beyond the linear response theory.We show that there is a Lyapunov function, also known as dynamical potential, which is, in general, a function of the moments and time satisfying Lyapunov stability conditions along renormalization group flows connected to the asymptotic hydrodynamic fixed point. As a result, the transport coefficients get dynamically renormalized at every order in the time-dependent perturbative expansion by receiving nonperturbative corrections present in the transseries. The connection between the integration constants and the UV data is discussed using the language of dynamical systems. Furthermore, we show that the first dissipative correction in the Knudsen number to the distribution function is not only determined by the known effective shear viscous term but also a new high-energy nonhydrodynamic mode. It is demonstrated that the survival of this new mode is intrinsically related to the nonlinear mode-to-mode coupling with the shear viscous term. Finally, we comment on some possible phenomenological applications of the proposed nonhydrodynamic transport theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Vertical profiles of light absorption and scattering associated with black carbon particle fractions in the springtime Arctic above 79° N

Despite the potential importance of black carbon (BC) for radiative forcing of the Arctic atmosphere, vertically resolved measurements of the particle light scattering coefficient (σ sp ) and light absorption coefficient (σ ap ) in the springtime Arctic atmosphere are infrequent, especially measurements at latitudes at or above 80° N. Here, relationships among vertically distributed aerosol optical properties (σap, σsp and single scattering albedo or SSA), particle microphysics and particle chemistry are examined for a region of the Canadian archipelago between 79.9 and 83.4° N from near the surface to 50 hPa. Airborne data collected during April 2015 are combined with ground-based observations from the observatory at Alert, Nunavut and simulations from the Goddard Earth Observing System (GEOS) model, GEOS-Chem, coupled with the TwO-Moment Aerosol Sectional (TOMAS) model (collectively GEOS-Chem–TOMAS; Kodros et al., 2018) to further our knowledge of the effects of BC on light absorption in the Arctic troposphere. The results are constrained for σsp less than 15 Mm -1 , which represent 98% of the observed σsp, because the single scattering albedo (SSA) has a tendency to be lower at lower σsp, resulting in a larger relative contribution to Arctic warming. At 18.4 m 2 g -1 , the average BC mass absorption coefficient (MAC) from the combined airborne and Alert observations is substantially higher than the two averaged modelled MAC values (13.6 and 9.1 m2 g -1 ) for two different internal mixing assumptions, the latter of which is based on previous observations. The higher observed MAC value may be explained by an underestimation of BC, the presence of small amounts of dust and/or possible differences in BC microphysics and morphologies between the observations and model. In comparing the observations and simulations, we present σap and SSA, as measured, and σ ap 2 and the corresponding SSA to encompass the lower modelled MAC that is more consistent with accepted MAC values. Median values of the measured σap, rBC and the organic component of particles all increase by a factor of 1.8±0.1, going from near-surface to 750 hPa, and values higher than the surface persist to 600 hPa. Modelled BC, organics and σap agree with the near-surface measurements but do not reproduce the higher values observed between 900 and 600 hPa. The differences between modelled and observed optical properties follow the same trend as the differences between the modelled and observed concentrations of the carbonaceous components (black and organic). Model-observation discrepancies may be mostly due to the modelled ejection of biomass burning particles only into the boundary layer at the sources. For the assumption of the observed MAC value, the SSA range between 0.88 and 0.94, which is significantly lower than other recent estimates for the Arctic, in part reflecting the constraint of σsp<15 Mm -1 . The large uncertainties in measuring optical properties and BC, and the large differences between measured and modelled values here and in the literature, argue for improved measurements of BC and light absorption by BC and more vertical profiles of aerosol chemistry, microphysics and other optical properties in the Arctic.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Impact of new experimental data on the C2HDM: the strong interdependence between LHC Higgs data and the electron EDM

The complex two-Higgs doublet model (C2HDM) is one of the simplest extensions of the Standard Model with a source of CP-violation in the scalar sector. It has a $\mathbb{Z}$ 2 symmetry, softly broken by a complex coefficient. There are four ways to implement this symmetry in the fermion sector, leading to models known as Type-I, Type-II, Lepton Specific and Flipped. In the latter three models, there is a priori the surprising possibility that the 125 GeV Higgs boson couples mostly as a scalar to top quarks, while it couples mostly as a pseudoscalar to bottom quarks. This “maximal” scenario was still possible with the data available in 2017. Since then, there have been more data on the 125 GeV Higgs boson, direct searches for CP-violation in angular correlations of $τ$-leptons produced in Higgs boson decays, new results on the electron electric dipole moment, new constraints from LHC searches for additional Higgs bosons and new results on $b$ → $sγ$ transitions. Highlighting the crucial importance of the physics results of LHC’s Run 2, we combine all these experiments and show that the “maximal” scenario is now excluded in all models. Still, one can have a pseudoscalar component in $hτ\overline{τ}$ couplings in the Lepton-Specific case as large as 87% of the scalar component for all mass orderings of the neutral scalar bosons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Stationary edge flames in a wedge with hydrodynamic variable-density interaction

The behavior of nonpremixed edge flames to low and high strains in a wedge-shaped region are simulated and studied in detail. The chemistry is modeled by a one-step mechanism and transport by constant coefficient Fickian diffusion, as a qualitative model describing the physical mechanisms in the thermochemistry of combustion of hydrocarbon fuels. The reactive zero-Mach-number Navier-Stokes equations are used to describe the flow, both in a thermodiffusive regime (constant density) and a hydrodynamically-coupled regime (variable density). This configuration is an adaptation of the experimental opposed inclined jet geometry long used at the University of Southern California, but made stationary by the addition of a sink at the apex of the wedge. This crucial modification enables the stable presence of stationary edge flames, and it allows the study of advancing and retreating edge flames in the low and high strain regimes. The dependence of the edge flames speed on strain rate, stoichiometry, and Lewis numbers is discussed and compared to previous studies.

42 ENGINEERING↗
DOE OSTI2025

SICAS, a new integrated divertor-SOL-pedestal-core framework for self-consistent modeling of ion and impurity transport in fusion devices

We present a new framework for core-edge integration studies named SICAS (SOLPS-ITER coupled to ASTRA-STRAHL) which enables high fidelity simulations of the core, edge, and divertor regions encompassing the transport of ions as well as the impurities through the entire plasma domain. SICAS handles the exchanging of the particle and power fluxes as well as transport coefficients to ensure consistency through the codes. An overlapping region is defined from the inside of the separatrix of the plasma to the SOLPS-ITER core boundary allowing for matching profiles and fluxes between the two codes for a self-consistent approach. The results presented here demonstrated the flexibility of SICAS to simulate different configurations, scenarios, divertor geometries, and plasma species with good agreement with DIII-D experimental data. This tool opens new possibilities in integrated modeling of fusion devices integrating all relevant phenomena in the core and the divertor plasmas. These capabilities are required for the interpretation of current experiments as well as the design of new devices.

core-edge integration↗
NASA NTRS1977

Effects of deflected thrust on the longitudinal aerodynamic characteristics of a close-coupled wing-canard configuration

The effects of power on the longitudinal aerodynamic characteristics of a close-coupled wing-canard fighter configuration with partial-span rectangular nozzles at the trailing edge of the wing were investigated. Data were obtained on a basic wing-strake configuration for nozzle and flap deflections from 0 deg to 30 deg and for nominal thrust coefficients from 0 to 0.30. The model was tested over an angle-of-attack range from -2 deg to 40 deg at Mach numbers of 0.15 and 0.18. Results show substantial improvements in lift-curve slope, in maximum lift, and in drag-due-to-lift efficiency when the canard and strakes have been added to the basic wing-fuselage (wing-alone) configuration. Addition of power increased both lift-curve slope and maximum lift, improved longitudinal stability, and reduced drag due to lift on both the wing-canard and wing-canard-strake configurations. These beneficial effects are primarily derived from boundary-layer control due to moderate thrust coefficients which delay flow separation on the nozzle and inboard portion of the wing flaps.

Yip, L. P.↗
NASA NTRS1978

Aeroelastic stability and response of horizontal axis wind turbine blades

The coupled flap-lag-torsion equations of motion of an isolated horizontal axis wind turbine blade are formulated. Quasi-steady blade-element strip theory was applied to derive the aerodynamic operator which includes boundary layer type gradient winds. The final equations which have periodic coefficients were solved in order to obtain the aeroelastic response and stability of large horizontal axis wind turbine blade. A new method of generating an appropriate time-dependent equilibrium position (required for the stability analysis) has been implemented. Representative steady-state responses and stability boundaries, applicable mainly to an existing blade design (NASA/-ERDA MOD-0), are presented. The results indicate that the MOD-0 configuration is a basically stable design and that blade stability is not sensitive to offsets between blade elastic axis and aerodynamic center. Blade stability appears to be sensitive to precone. The tower shadow (or wake) has a considerable effect on the flap response but leaves blade stability unchanged. Finally, it was found that non linear terms in the equations of motion can significantly affect the linearized stability boundaries, however, these terms have a negligible effect on blade response at operating conditions.

Kottapalli, S. B. R.↗
NASA NTRS1993

A preferential vibration dissociation coupling model for nonequilibrium flowfields

A preferential vibration-dissociation coupling model is incorporated into a radiatively coupled viscous shock laver code that also includes chemical, radiative, and thermal nonequilibrium. Stagnation point flow profiles are obtained for various Fire 2 flight conditions and for a typical 14 km/sec AOTV case, and comparisons are made with Fire 2 experimental data. Adjustments in molecular absorption coefficients are also made for several diatomic species. Based on comparisons with experimental data, very little preferential dissociation behavior is present in the Fire 2 flight conditions.

Mcgough, David E.↗
NASA NTRS1994

A Galerkin method for linear PDE systems in circular geometries with structural acoustic applications

A Galerkin method for systems of PDE's in circular geometries is presented with motivating problems being drawn from structural, acoustic, and structural acoustic applications. Depending upon the application under consideration, piecewise splines or Legendre polynomials are used when approximating the system dynamics with modifications included to incorporate the analytic solution decay near the coordinate singularity. This provides an efficient method which retains its accuracy throughout the circular domain without degradation at singularity. Because the problems under consideration are linear or weakly nonlinear with constant or piecewise constant coefficients, transform methods for the problems are not investigated. While the specific method is developed for the two dimensional wave equations on a circular domain and the equation of transverse motion for a thin circular plate, examples demonstrating the extension of the techniques to a fully coupled structural acoustic system are used to illustrate the flexibility of the method when approximating the dynamics of more complex systems.

Smith, Ralph C.↗
NASA NTRS1994

Stability of the Martian atmosphere: Is heterogeneous catalysis essential?

A comprehensive homogeneous gas phase photochemical model is developed to study the problem of stability of the Martian atmosphere. The one-dimensional model extends from the ground up to 220 km, passing through the homopause at 125 km. The model thus couples the lower (neutral) atmosphere to the ionosphere above which provides significant downward flux of carbon monoxide and oxygen atoms. It is concluded on the basic of currently accepted values for globally and seasonally averaged water vapor abundance, dust opacity and the middle atmospheric eddy mixing coefficient, as well as the relevant laboratory data (particularly the temperature dependence of CO2 absorption cross section and the rate constant for CO+OH reaction), that the rate of re-formation of carbon dioxide exceeds its photolytic destruction rate by about 40%. Furthermore, it is found that this result is virtually independent of the choice of eddy mixing coefficient, unless its value in the middle atmosphere exceeds 10(exp 8) sq cm/sec or is far smaller than 10(exp 5)sq cm/sec, or the dust opacity, unless it exceeds unity, or the water vapor mixing ratio at the surface, unless it is far smaller (less than or = 1 ppm) or far greater (greater than or = 500 ppm) than the average value (approximately 150 ppm). Since none of these extremes represent globally and seasonally averaged conditions on Mars, we propose that the present model requires existence of a mechanism to throttle down the recycling rate of carbon dioxide on Mars. Therefore, it is suggested that a heterogeneous process which provides a sink to the species that participate in the recycling of CO2, i.e., H2O, H2O2, OH, CO or O, in particular, may be necessary to bring about the balance between the CO2 recycling rate and its photolytic destruction rate. Aerosols of dust or ice (pure or doped water or carbon dioxide ice present in the atmosphere of Mars) can provide the appropriate adsorption sites for the above heterogeneous process. Despite our conclusion that some heterogeneous process may be needed, it is important to recognize that one-dimensional models can only provide first-order results which, most likely, represent globally and seasonally averaged conditions. However, it is only after actual temporal, latitudinal and longitudinal variations of relevant atmospheric parameters are included in the model that one can determine fuly whether the problem of atmospheric stabiltiy still continues to persist and whether some heterogeneous process is required to correct it.

Atreya, Sushil K.↗
NASA NTRS2015

Aeroelastic Analysis of a Flexible Wing Wind Tunnel Model with Variable Camber Continuous Trailing Edge Flap Design

This paper presents data analysis of a flexible wing wind tunnel model with a variable camber continuous trailing edge flap (VCCTEF) design for drag minimization tested at the University of Washington Aeronautical Laboratory (UWAL). The wind tunnel test was designed to explore the relative merit of the VCCTEF concept for improved cruise efficiency through the use of low-cost aeroelastic model test techniques. The flexible wing model is a 10%-scale model of a typical transport wing and is constructed of woven fabric composites and foam core. The wing structural stiffness in bending is tailored to be half of the stiffness of a Boeing 757-era transport wing while the torsional stiffness is about the same. This stiffness reduction results in a wing tip deflection of about 10% of the wing semi-span. The VCCTEF is a multi-segment flap design having three chordwise camber segments and five spanwise flap sections for a total of 15 individual flap elements. The three chordwise camber segments can be positioned appropriately to create a desired trailing edge camber. Elastomeric material is used to cover the gaps in between the spanwise flap sections, thereby creating a continuous trailing edge. Wind tunnel data analysis conducted previously shows that the VCCTEF can achieve a drag reduction of up to 6.31% and an improvement in the lift-to-drag ratio (L=D) of up to 4.85%. A method for estimating the bending and torsional stiffnesses of the flexible wingUWAL wind tunnel model from static load test data is presented. The resulting estimation indicates that the stiffness of the flexible wing is significantly stiffer in torsion than in bending by as much as 9 to 1. The lift prediction for the flexible wing is computed by a coupled aerodynamic-structural model. The coupled model is developed by coupling a conceptual aerodynamic tool Vorlax with a finite-element model of the flexible wing via an automated geometry deformation tool. Based on the comparison of the lift curve slope, the lift prediction for the rigid wing is in good agreement with the estimated lift coefficients derived from the wind tunnel test data. Due to the movement of the VCCTEF during the wind tunnel test, uncertainty in the lift prediction due to the indicated variations of the VCCTEF deflection is studied. The results show a significant spread in the lift prediction which contradicts the consistency in the aerodynamic measurements, thus suggesting that the indicated variations as measured by the VICON system may not be reliable. The lift prediction of the flexible wing agrees very well with the measured lift curve for the baseline configuration. The computed bending deflection and wash-out twist of the flexible wing also match reasonably well with the aeroelastic deflection measurements. The results demonstrate the validity of the aerodynamic-structural tool for use to analyze aerodynamic performance of flexible wings.

Wind Tunnel↗
NASA NTRSDate not supplied

Aeroelastic Trim Drag Optimization of Mach 0.8 Transonic Truss-Braced Wing Aircraft using High-Lift Devices and Control Surfaces

This paper presents an aeroelastic trim drag optimization study of the Mach 0.8 Transonic Truss-Braced Wing (TTBW) aircraft using the High-lift devices and control surfaces. An aero-structural analysis solver VSPAERO with transonic small disturbance, integral boundary-layer, and wing-strut interference corrections coupled to mode shapes computed by NASTRAN using the Galerkin method is developed to provide a rapid aircraft aeroelastic performance evaluation. Three different flight conditions corresponding to Mach 0.8 are selected for the aeroelastic trim drag optimization at the design and off-design cruise lift coefficients. The preliminary optimization results show that the TTBW aircraft with the optimized deflection of the high-lift devices and control surfaces achieves a drag reduction of about 8.2 counts, 6.5 counts, and 9.7 counts corresponding to the lift coefficients 0.661, 0.695, and 0.729, respectively. A high-fidelity CFD solver FUN3D is used to verify the aeroelastic trim drag optimization.

TTBW↗
NASA NTRS1999

The Coupling of ClONO2, ClO, and NO2 in the Lower Stratosphere From in Situ Observations Using the NASA ER-2 Aircraft

The first in situ measurements of ClONO2 in the lower stratosphere, acquired using the NASA ER-2 aircraft during the Polar Ozone Loss in the Arctic Region in Summer (POLARIS) mission, are combined with simultaneous measurements of ClO, NO2, temperature, pressure, and the calculated photolysis rate coefficient (J(sub ClONO2)) to examine the balance between production and loss of ClONO2. The observations demonstrate the ClONO2 photochemical steady state measurement, [ClONO2](sup PSS) = k[ClO][No2]/J(sub ClONO2), is in good agreement with the direct measurement, [ClONO2](sup MEAS). For the bulk of the data (80%), where T > 220 K and latitudes > 45 N, [ClONO2](sup PPS) = 1.15 +/- 0.36(1-sigma)[ClONO2](sup MEAS), while for T< 220 K and latitudes < 45 N, the result is somewhat less at 1.01 +/- 0.30. The cause of the temperature and/or latitude trend is unidentified. These results are independent of solar zenith angle and air density, thus there is no evidence in support of a pressure-dependent quantum yield for photodissociation of ClONO2 at wavelengths > 300 nm. These measurements confirm the mechanism by which active nitrogen (NOx = NO + NO2) controls the abundance of active chlorine (Clx = ClO + Cl) in the stratosphere.

Stimpfle, R. E.↗
DOE OSTI2018

HTTR 3 D Cross Section Generation with Serpent and MAMMOTH

The High Temperature Test Reactor (HTTR) is a graphite moderated thermal reactor with a nominal power output of 30 MWth. The purpose of this work is to prepare a set of neutron cross sections for use in the transient analyses of three Loss of Forced Cooling (LOFC) events planned for this reactor. The cross sections are generated with the Serpent 2 3 D Monte Carlo code to include the axial heterogeneity and the strong axial coupling of this core. The approach yields good agreement of results when compared to previously used 2 D lattice models, which require a fine spatial discretization and, surprisingly, comes at a higher computational cost. In addition, the temperature distribution must be considered to obtain reasonable cross sections and the axial leakage component dominates the spectral effects in the core. Consequently, a temperature model as a function of the fuel and moderator temperatures is adopted, and the core is depleted to 390 effective full-power days (EFPDs). A full tabulation of cross sections is prepared at this burnup point for a variety of fuel and moderator temperatures. Next, the multiphysics reactor application MAMMOTH is used to evaluate the quality of these cross sections using a diffusion solver. As expected, the homogenization error in the cross sections is significant and the Super Homogenization (SPH) correction from MAMMOTH is necessary to preserve key reaction rates. The SPH corrected MAMMOTH results are in excellent agreement with the Serpent results and reproduce both the reference power profile and temperature coefficients at each tabulation point. This fact confirms the accuracy of the SPH corrected cross sections and demonstrates the maturity of using Serpent 2 and MAMMOTH for 3 D cross section generation, even for reactors as complex as the HTTR. Finally, the authors recommend that the cross sections should be parametrized with the local burnup and that a full core burnup calculation with coupled thermal fluids would provide a better estimate of the initial condition for any subsequent transient analysis. Unfortunately, this was not within the scope of this work, and direct analysis with these tabulations should be considered as a first order approximation, at best.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRSDate not supplied

Airfoil Table Generation and Validation for the VR-12 and SSC-A09 Airfoils and Quadrotor Performance Prediction

As part of NASA’s Urban Air Mobility (UAM) mission, the Revolutionary Vertical Lift Technology (RVLT) project is creating rotorcraft reference designs that can be used by the rotorcraft community to develop quiet, efficient, and safer air vehicles. At NASA, this effort is made possible by the use of the RVLT toolchain software. Airfoil tables are often a critical part of the conceptual design process as they inform both comprehensive analysis and Computational Fluid Dynamics (CFD) codes of 2D aerodynamic coefficients, such as lift, drag, and moment coefficients. These airfoil tables, typically generated during experimental testing, are often proprietary and thus not widely distributable; further, there is not always clear or available reference documentation that provides information on the test conditions. The airfoil tables from these experiments are referred to in this work as Legacy airfoil tables. The scope of this study is to generate airfoil tables with the NASA OVERset grid CFD FLOW solver (OVERFLOW) coupled with the AirFoil Table Generator (AFTGen) software and validate these airfoil tables based on performance predictions calculated in Comprehensive Hierarchical Aeromechanics Rotorcraft Model (CHARM). The overall goal is to provide CFD generated airfoil tables, validate them through comprehensive analysis, and publish the airfoil tables for public distribution. The RVLT quadrotor reference model was selected as the basis for all analyses. The quadrotor uses the VR-12 and SSC-A09 airfoils for its rotor blades. Simulations were run in OVERFLOW for the VR-12 and SSC-A09 airfoils for ±20° angles of attack, Mach numbers from 0.3 to 1.0, and a Reynolds-Mach proportionality constant of 1.023x107. The C81 format airfoil tables from AFTGen were then blended with Legacy NACA 0012 airfoil table data for ±20° to ±180° angle of attack range. CHARM was used to compute thrust coefficient, power coefficient, and figure of merit for an isolated rotor in hover using proprietary legacy airfoil tables for the VR-12 and SSC-A09, as well as with the OVERFLOW generated airfoil tables for the VR-12 and SSC-A09. Overall, the OVERFLOW and Legacy performance predictions agreed well, with the best correlation between simulated and Legacy data observed with the VR-12 airfoil tables.

Airfoil↗
DOE OSTI2025

Heating performance of an air source heat pump with a portable thermoelectric subcooler

This study investigates the heating performance of an integrated air-source heat pump (ASHP) with a thermoelectric subcooler (TES) module, revealing significant performance enhancements, particularly in colder temperatures. Results show that adding the portable TES boosts the ASHP's heating capacity, making it feasible for residential applications. The coefficient of performance (COP) for the TE system, which is influenced by condensing temperatures and ambient conditions, ranges from 1.51 to 2.07. If condensing temperatures are consistently maintained above 35 °C, a TE COP of approximately 2.07 is achievable, supporting system downsizing and reducing supplemental heating. When coupled with an oversized indoor coil, the TES-ASHP system delivers comparable heating to a baseline unit while achieving a 10 % higher COP. Capacity increases by 8.7 %–24 % with TES in colder conditions, though COP declines by 9 %–18 %, diminishing as temperatures drop. Compared to systems with supplemental heating, this setup achieves a COP 10 %–17 % higher. Future work will involve extended field testing in various climates, exploration of advanced materials for thermal efficiency, and assessment of alternative refrigerants to improve performance and sustainability. This integrated ASHP-TES system holds promise for increased efficiency and reduced environmental impact in cold climates.

Air source heat pump↗
DOE OSTI2023

Investigation of desorption of hydrogen gas from polymer matrix using thermal desorption analysis and finite element modeling

Polymer materials are used widely as sealing materials and liners in hydrogen storage and transportation infrastructure. During operating conditions, polymers are exposed to high pressure hydrogen gas periodically. When in contact, the hydrogen gas diffuses through the polymer material with ease due to its smaller sized molecules compared to the polymer molecules. In the event of rapid decompression of outside hydrogen gas, the hydrogen molecules within the polymer diffuse out. This process is known as the desorption of polymer and can cause blisters or cracking causing permanent damage to the polymer. Here, we used a combined experimental and modeling approach to investigate the desorption of the hydrogen gas in the polymer. Thermal desorption analysis (TDA) experiments were performed on the polymer sample exposed to the high-pressure hydrogen gas to measure the diffusion coefficient and equilibrium hydrogen concentration. Experiments also provided the quantity of hydrogen within the polymer during the desorption process which followed Fick’s law. However, for higher pressurization values, some anomaly was observed in the quantity of hydrogen remaining in the polymer sample. A continuum mechanics based coupled diffusion–deformation-damage model was deployed to simulate the gas desorption process in the material using the finite element method to understand its effect on the material. It was found that the anomaly in TDA results were due to the blister formation on the polymer surface which resulted in longer hydrogen retention. Simulations also showed that blister formation can be affected by multiple parameters such as the addition of filler particles, and pre-existing cavity size.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Structural changes upon magnetic ordering in magnetocaloric AlFe 2 B 2

With a Curie temperature just above room temperature, AlFe 2 B 2 is a useful magnetocaloric material composed of earth-abundant elements. Here, we employ temperature-dependent high-resolution synchrotron X-ray diffraction to establish with high certainty that the paramagnetic to ferromagnetic transition in AlFe 2 B 2 is of second order, showing no discontinuity in lattice parameters or cell volume. Nevertheless, the lattice parameters undergo anisotropic changes across the transition with distinct differences in the thermal expansion coefficients. While the $a$ and $b$ lattice parameters show a positive thermal expansion, $c$ shows a negative thermal expansion. We link these changes to the respective interatomic distances to determine the contribution of magnetism to the anisotropic structural evolution. The work underpins the possible role of magnetostructural coupling in driving the magnetocaloric effect in AlFe 2 B 2 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗