Ultrasonic properties of solids
Ultrasonic properties of solids studied to obtain information about bulk systems near phase transitions or critical points
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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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Sequential polymer infusion into solid substrates (SPISS): Impact of processing on sorbent CO 2 adsorption properties
Solid sorbents made of small amine molecules and polyamines infused into mesoporous substrates are promising materials for CO 2 capture technologies. To date, their preparation is mainly based on wet infusion with focus on increasing amine content by varying the structure of the amine sorbent and designing solid substrates of various pore parameters. Less explored in the field are changes in processing to afford efficient CO 2 sorbents. In this study, branched poly(ethylenimine) (bPEI, M w = 800 Da) alone and blends with linear poly(propylenimine) (LPPI, M n = 6,700 Da) are infused into solid SBA-15 substrates by a method that varies the solution processing called sequential polymer infusion into solid substrates (SPISS). The reference 40 % bPEI-SBA-15 samples are split by two methods: split batch in dry suspension (SBD) and split batch in liquid suspension (SBL). Sequentially, alcoholic 10% of bPEI (non-blends) and 10% of LPPI (blends) solutions are introduced to afford the desired products. Under dry conditions, the resulting 50% bPEI-SBA-15 SBD & SBL sorbents display high CO 2 capacities up to 3.47 mmol CO 2 /g SiO 2 for simulated flue gas (10% CO 2 ) and 2.62 mmol CO 2 /g SiO 2 for direct air capture (DAC, 400 ppm CO 2 ). Under humid DAC conditions the CO 2 performance is further enhanced with an uptake of 4.62 mmol CO 2 /gSiO 2 and amine efficiency of 0.22 mmol CO 2 /mmol N. Subjected to extended temperature swing adsorption kinetic cycling (20 cycles), the SPISS samples display stable working capacities and retain over 70% (blends) and over 90% (non-blends) of their initial 12 h adsorption performance. LPPI is demonstrated to be an effective water sorption limiting agent using dynamic vapor sorption measurements. Solid state NMR techniques reveal important insights into the dynamics of the amine polymers confined into SBA-15 pores, as impacted by processing conditions. The results suggest that the conformation of the polymers is different depending on the processing method, displaying relatively tight (SBD) and loose (SBL) packing. Finally, the simple solution processing approaches presented here show that processing variations may guide the design of solid amine sorbents with desirable properties relevant for integration into CO 2 capture technologies.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Importance of Properties of Solids to Friction and Wear Behaviour
The main properties of solids which influence friction and wear are discussed and published rules which relate material properties to friction and wear are considered. In addition, recent experimental results on the tribological behaviour of metals and polymers illustrating the effect of some important interaction characteristics on friction and wear are presented. Finally, a framework for the systematic compilation and documentation of relevant tribological parameters in experimental friction and wear investigations is given.
Czichos, H.↗
A study of the effects of solid phase reactions on the thermal degradation and ballistic properties of solid propellants
The thermal stability of perchlorate composite propellants was studied at 135 and 170 C. The experimental efforts were concentrated on determining the importance of heterogeneous oxidizer-fuel reactions in the thermal degradation process. The experimental approach used to elucidate the mechanisms by which the oxidizer fuel composites thermally degrade was divided into two parts: (1) keeping the fuel constant and varying the nature of the oxidizers, and (2) holding the oxidizer constant and varying the fuel components. The fuel component primarily utilized in the first phase was polyethylene. Oxidizers included KClO4, KClO3, NH4ClO4 and NH4ClO4 doped with materials such as chlorate, phosphate and arsenate. In the second phase the oxidizer used was primarily NH4ClO4 while the fuels included saturated and unsaturated polybutadiene prepolymers and a series of bonding agents. Techniques employed in the current study include thermogravimetric measurements, differential thermal analysis, infrared, mass spectrometry, electron microscopy, and appropriate wet chemical analysis.
Schmidt, W. G.↗
Thermal properties of solid and porous tungsten at temperatures to 5000 deg F
Thermal properties of solid and porous tungsten at high temperatures
HIGH TEMPERATURE RESEARCH↗
Measurement of Thermal Radiation Properties of Solids
The overall objectives of the Symposium were to afford (1) an opportunity for workers in the field to describe the equipment and procedures currently in use for measuring thermal radiation properties of solids, (2) an opportunity for constructive criticism of the material presented, and (3) an open forum for discussion of mutual problems. It was also the hope of the sponsors that the published proceedings of the Symposium would serve as a valuable reference on measurement techniques for evaluating thermal radiation properties of solids, partic.ularly for those with limited experience in the field. Because of the strong dependence of emitted flux upon temperature, the program committee thought it advisable to devote the first session to a discussion of the problems of temperature measurement. All of the papers in Session I were presented at the request of and upon topics suggested by the Committee. Because of time and space limitations, it, was impossible to consider all temperature measurement problems that might arise--the objective was rather to call to the attention of the reader some of the problems that might be encountered, and to provide references that might provide solutions.
EMISSION↗
Laboratory test methods for combustion stability properties of solid propellants
An overview is presented of experimental methods for determining the combustion-stability properties of solid propellants. The methods are generally based on either the temporal response to an initial disturbance or on external methods for generating the required oscillations. The size distribution of condensed-phase combustion products are characterized by means of the experimental approaches. The 'T-burner' approach is shown to assist in the derivation of pressure-coupled driving contributions and particle damping in solid-propellant rocket motors. Other techniques examined include the rotating-valve apparatus, the impedance tube, the modulated throat-acoustic damping burner, and the magnetic flowmeter. The paper shows that experimental methods do not exist for measuring the interactions between acoustic velocity oscillations and burning propellant.
Strand, L. D.↗
Thermal radiation properties of solids at low temperatures
This paper provides introductory remarks for the symposium session on thermal radiation properties of solids in the range 0°-200° K. A qualitative description is given of that part of the theory that is unique to low temperatures, after which experimental methods appropriate to low temperatures and present applications of low temperature data are sketched.
SOLIDS↗
Fast and stable deep-learning predictions of material properties for solid solution alloys
We present a novel deep learning (DL) approach to produce highly accurate predictions of macroscopic physical properties of solid solution binary alloys and magnetic systems. The major idea is to make use of the correlations between different physical properties in alloy systems to improve the prediction accuracy of neural network (NN) models. We use multitasking NN models to simultaneously predict the total energy, charge density and magnetic moment. These physical properties mutually serve as constraints during the training of the multitasking NN, resulting in more reliable DL models because multiple physics properties are correctly learned by a single model. Two binary alloys, copper–gold (CuAu) and iron–platinum (FePt), were studied. Our results show that once the multitasking NN's are trained, they can estimate the material properties for a specific configuration hundreds of times faster than first-principles density functional theory calculations while retaining comparable accuracy. We used a simple measure based on the root-mean-squared errors to quantify the quality of the NN models, and found that the inclusion of charge density and magnetic moment as physical constraints leads to more stable models that exhibit improved accuracy and reduced uncertainty for the energy predictions.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Effective data sampling strategies and boundary condition constraints of physics-informed neural networks for identifying material properties in solid mechanics
Material identification is critical for understanding the relationship between mechanical properties and the associated mechanical functions. However, material identification is a challenging task, especially when the characteristic of the material is highly nonlinear in nature, as is common in biological tissue. In this work, we identify unknown material properties in continuum solid mechanics via physics-informed neural networks (PINNs). To improve the accuracy and efficiency of PINNs, we develop efficient strategies to nonuniformly sample observational data. We also investigate different approaches to enforce Dirichlet-type boundary conditions (BCs) as soft or hard constraints. Finally, we apply the proposed methods to a diverse set of time-dependent and time-independent solid mechanic examples that span linear elastic and hyperelastic material space. The estimated material parameters achieve relative errors of less than 1%. As such, this work is relevant to diverse applications, including optimizing structural integrity and developing novel materials.
97 MATHEMATICS AND COMPUTING↗
Assessing Melting and Solid–Solid Transition Properties of Choline Chloride via Molecular Dynamics Simulations
Choline chloride (ChCl) is used extensively as a hydrogen bond donor in deep eutectic solvents (DESs). However, determining its melting properties experimentally is challenging due to decomposition upon melting, leading to widely varying literature values. Accurate melting properties are crucial for understanding the solid–liquid phase behavior of ChCl-containing DESs. Here, we employ molecular dynamics simulations to compute the phase transitions of ChCl, testing a variety of atomistic force fields. We find that the results are sensitive to the choice of force field, but a melting temperature of 627 K and a melting enthalpy of 7.8 kJ/mol seem most reasonable, in good agreement with some literature values. Furthermore, we suggest these as the likely melting properties of ChCl, though the results are tentative due to limited experimental data for the liquid ChCl phase.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Properties of solid and gaseous hydrogen, based upon anisotropic pair interactions
Properties of H2 are studied on the basis of an analytic anisotropic potential deduced from atomic orbital and perturbation calculations. The low-pressure solid results are based on a spherical average of the anisotropic potential. The ground state energy and the pressure-volume relation are calculated. The metal-insulator phase transition pressure is predicted. Second virial coefficients are calculated for H2 and D2, as is the difference in second virial coefficients between ortho and para H2 and D2.
Etters, R. D.↗
The thermodynamic properties of solid mercury at temperature intervals of from 0 deg K to melting point at normal pressure
Thermodynamic properties and physical constants of solid mercury at temperature intervals from zero degrees K to melting point at normal pressure
Vukalovich, M. P.↗
Quantum vibronic effects on the electronic properties of solid and molecular carbon
Here, we study the effect of quantum vibronic coupling on the electronic properties of carbon allotropes, including molecules and solids, by combining path integral first principles molecular dynamics (FPMD) with a colored noise thermostat. In addition to avoiding several approximations commonly adopted in calculations of electron-phonon coupling, our approach only adds a moderate computational cost to FPMD simulations and hence it is applicable to large supercells, such as those required to describe amorphous solids. We predict the effect of electron-phonon coupling on the fundamental gap of amorphous carbon, and we show that in diamond the zero-phonon renormalization of the band gap is larger than previously reported.
36 MATERIALS SCIENCE↗
Echogenic Segmentation for Ultrasonic Measurements of Spatially Distributed Properties in Solids
An ultrasonic (US) pulse propagating between transducer-receiver responds cumulatively to distributed material properties it encounters, such as temperature distribution. Such convolution makes the unique reconstitution of distributions impossible short of applying tomographic techniques. However, spatial heterogeneity in material properties is readily revealed by segmenting the US propagation path with echogenic features (EF), producing a train of echoes delayed as a function of segmentally localized properties. Unfortunately, in low attenuating waveguides (WGs), primary and trailing echoes (TE) interfere, limiting the number, density, and placement of EFs we can use. We report the design guidelines for creating US-segmented WGs for measuring distributed properties, in which the impact of TEs is minimized or eliminated. Two waveguide designs using these principles have been tested in spatially distributed temperature measurements in high-temperature or restrictive environments.
Walton, Kenneth↗
Prediction of defect properties in concentrated solid solutions using a Langmuir-like model
The alleged existence of sluggish diffusion in high-entropy alloys has drawn controversy. In high-entropy alloys and, in general, in all solids, transport properties are controlled by point defect concentration, which must be known before performing atomistic simulations to compute transport coefficients. In this work, we present a general Langmuir-like model for defect concentration in an arbitrarily complex solid solution and apply this model to generate expressions for concentrations of vacancies and small interstitial atoms. We then calculate the vacancy concentration as a function of temperature in the equiatomic CoNiCrFeMn and FeAl alloys with modified embedded-atom-method potentials for various chemical orderings, showing there is no clear correlation between vacancy thermodynamics and chemical ordering in the CoNiCrFeMn alloy, but clear systematic patterns for FeAl. We believe this is due to the high stability of disordered, random, and ordered intermetallic phases, respectively, in the CoNiCrFeMn and FeAl systems. Finally, this work provides future avenues to the prediction of thermal interstitials and vacancies in solid solutions, which is necessary for models of nonequilibrium behavior of solid solutions.
composition↗
Thermodynamic properties of solid palladium-silver alloys and other alloys are investigated by torsion-effusion technique
Vapor pressure data obtained by the torsion-effusion method provides the thermodynamic properties of several transition-metal alloy systems. The vapor pressure of silver over solid silver and over palladium-silver alloys was measured and the results were more accurate than those found previously by other techniques.
Myles, K. M.↗
Tunable Solid‐State Properties and Anisotropic Charge Mobility in Hydrogen‐Bonded Diketopyrrolopyrrole Polymers via Automated Device Fabrication and Characterization
The optoelectronic properties of semiconducting polymers and device performance rely on a delicate interplay of design and processing conditions. However, screening and optimizing the relationships between these parameters for reliably fabricating organic electronics can be an arduous task requiring significant time and resources. To overcome this challenge, Polybot is developed—a robotic platform within a self‐driving lab that can efficiently produce organic field‐effect transistors (OFETs) from various semiconducting polymers via high‐throughput blade coating deposition. Polybot not only handles the fabrication process but also can conduct characterization tests on the devices and autonomously analyze the data gathered, thus facilitating the rapid acquisition of data on a large scale. This work leverages the capabilities of this platform to investigate the fabrication of OFETs using hydrogen bonding‐containing semiconducting polymers. Through high‐throughput fabrication and characterization, various data trends are analyzed, and large extents of anisotropic charge mobility are observed in devices. The materials are thoroughly characterized to understand the role of processing conditions in solid state and electronic properties of these organic semiconductors. The findings demonstrate the effectiveness of automated fabrication and characterization platforms in uncovering novel structure–property relationships, facilitating refinement of rational chemical design, and processing conditions, ultimately leading to new semiconducting materials.
automated fabrication and characterization↗