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All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

Data-Intensive Science meets Inquiry-Driven Pedagogy: Interactive Big Data Exploration, Threshold Concepts, and Liminality

Threshold concepts in any discipline are the core concepts an individual must understand in order to master a discipline. By their very nature, these concepts are troublesome, irreversible, integrative, bounded, discursive, and reconstitutive. Although grasping threshold concepts can be extremely challenging for each learner as s/he moves through stages of cognitive development relative to a given discipline, the learner's grasp of these concepts determines the extent to which s/he is prepared to work competently and creatively within the field itself. The movement of individuals from a state of ignorance of these core concepts to one of mastery occurs not along a linear path but in iterative cycles of knowledge creation and adjustment in liminal spaces - conceptual spaces through which learners move from the vaguest awareness of concepts to mastery, accompanied by understanding of their relevance, connectivity, and usefulness relative to questions and constructs in a given discipline. For example, challenges in the teaching and learning of atmospheric science can be traced to threshold concepts in fluid dynamics. In particular, Dynamic Meteorology is one of the most challenging courses for graduate students and undergraduates majoring in Atmospheric Science. Dynamic Meteorology introduces threshold concepts - those that prove troublesome for the majority of students but that are essential, associated with fundamental relationships between forces and motion in the atmosphere and requiring the application of basic classical statics, dynamics, and thermodynamic principles to the three dimensionally varying atmospheric structure. With the explosive growth of data available in atmospheric science, driven largely by satellite Earth observations and high-resolution numerical simulations, paradigms such as that of dataintensive science have emerged. These paradigm shifts are based on the growing realization that current infrastructure, tools and processes will not allow us to analyze and fully utilize the complex and voluminous data that is being gathered. In this emerging paradigm, the scientific discovery process is driven by knowledge extracted from large volumes of data. In this presentation, we contend that this paradigm naturally lends to inquiry-driven pedagogy where knowledge is discovered through inductive engagement with large volumes of data rather than reached through traditional, deductive, hypothesis-driven analyses. In particular, data-intensive techniques married with an inductive methodology allow for exploration on a scale that is not possible in the traditional classroom with its typical problem sets and static, limited data samples. In addition, we identify existing gaps and possible solutions for addressing the infrastructure and tools as well as a pedagogical framework through which to implement this inductive approach.

Ramachandran, Rahul↗
NASA NTRS1985

A study of the applicability of nucleation theory to quasi-thermodynamic transitions of second and higher Ehrenfest-order

The applicability of classical nucleation theory to second (and higher) order thermodynamic transitions in the Ehrenfest sense has been investigated and expressions have been derived upon which the qualitative and quantitative success of the basic approach must ultimately depend. The expressions describe the effect of temperature undercooling, hydrostatic pressure, and tensile stress upon the critical parameters, the critical nucleus size, and critical free energy barrier, for nucleation in a thermodynamic transition of any general order. These expressions are then specialized for the case of first and second order transitions. The expressions for the case of undercooling are then used in conjunction with literature data to estimate values for the critical quantities in a system undergoing a pseudo-second order transition (the glass transition in polystyrene). Methods of estimating the interfacial energy gamma in systems undergoing a first and second order transition are also discussed.

Barker, R. E., Jr.↗
NASA NTRS1981

Vibrational disequilibrium in low pressure clouds

Steady state vibrational populations of SiO and CO in several dilute blackbody radiation fields have been calculated as a function of total pressure, kinetic temperature, and chemical composition of the gas. An approximate calculation for polyatomic molecules has also been carried out. Vibrational disequilibrium becomes increasingly significant as the total pressure and radiation density decrease. Many regions of postulated grain formation are found to be far out of thermal equilibrium before the onset of condensation. The use of classical nucleation theory and equilibrium thermodynamics to predict the onset of condensation and the composition of the solids or the molecular composition of the gas phase in such regions therefore is very questionable and needs to be examined for each case.

Nuth, J. A.↗
NASA NTRS1981

Experimental and Theoretical Studies of Interstellar Grains

Steady state vibrational populations of SiO and CO in dilute black body radiation fields were calculated as a function of total pressure, kinetic temperature and chemical composition of the gas. Approximate calculations for polyatomic molecules are presented. Vibrational disequilibrium becomes increasingly significant as total pressure and radiation density decrease. Many regions of postulated grain formation are found to be far from thermal equilibrium before the onset of nucleation. Calculations based upon classical nucleation theory or equilibrium thermodynamics are expected to be of dubious value in such regions. Laboratory measurements of the extinction of small iron and magnetite grains were made from 195 nm to 830 nm and found to be consistent with predictions based upon published optical constants. This implies that small iron particles are not responsible for the 220 nm interstellar extinction features. Additional measurements are discussed.

Nuth, J. A., III↗
NASA NTRS1970

Elasticity theory in general relativity

Elasticity theory in general relativity formulated from classical nonlinear three dimensional theory, discussing thermodynamics and weak field limit

Hernandez, W. C., Jr.↗
NASA NTRS1988

Structure of a viscoplastic theory

The general structure of a viscoplastic theory is developed from physical and thermodynamical considerations. The flow equation is of classical form. The dynamic recovery approach is shown to be superior to the hardening function approach for incorporating nonlinear strain hardening into the material response through the evolutionary equation for back stress. A novel approach for introducing isotropic strain hardening into the theory is presented, which results in a useful simplification. In particular, the limiting stress for the kinematic saturation of state (not the drag stress) is the chosen scalar-valued state variable. The resulting simplification is that there is no coupling between dynamic and thermal recovery terms in each evolutionary equation. The derived theory of viscoplasticity has the structure of a two-surface plasticity theory when the response is plasticlike, and the structure of a Bailey-Orowan creep theory when the response is creeplike.

Freed, Alan D.↗
NASA NTRS1983

Lagrange thermodynamic potential and intrinsic variables for He-3 He-4 dilute solutions

For a two-fluid model of dilute solutions of He-3 in liquid He-4, a thermodynamic potential is constructed that provides a Lagrangian for deriving equations of motion by a variational procedure. This Lagrangian is defined for uniform velocity fields as a (negative) Legendre transform of total internal energy, and its primary independent variables, together with their thermodynamic conjugates, are identified. Here, similarities between relations in classical physics and quantum statistical mechanics serve as a guide for developing an alternate expression for this function that reveals its character as the difference between apparent kinetic energy and intrinsic internal energy. When the He-3 concentration in the mixtures tends to zero, this expression reduces to Zilsel's formula for the Lagrangian for pure liquid He-4. An investigation of properties of the intrinsic internal energy leads to the introduction of intrinsic chemical potentials along with other intrinsic variables for the mixtures. Explicit formulas for these variables are derived for a noninteracting elementary excitation model of the fluid. Using these formulas and others also derived from quantum statistical mechanics, another equivalent expression for the Lagrangian is generated.

Jackson, H. W.↗
NASA NTRSDate not supplied

Variational Asymptotic Homogenization of Finitely Deformed Viscoelastic-Viscoplastic Composites

The objective of this paper is to develop a constitutive model for finitely deformed viscoelastic-viscoplastic materials and a micromechanics approach to homogenizing composites consisting of such materials. The development of the constitutive model involves establishing a thermodynamic framework based on finite strain theory, developing a viscoelasticity and a viscoplasticity model based on the thermodynamic framework, developing a radial return algorithm based on a classic framework, and deriving a closed-from incremental constitutive relation in the spatial configuration. The development of the micromechanics approach involves pulling-back the above constitutive relation to the material configuration, formulating a variational statement with the resulting constitutive relation, discretizing variational statement in a finite-dimensional space, and solving the discretized variational statement using an Euler–Newton predictor–corrector method. The constitutive model is calibrated via monotonic uniaxial compression tests on a polymer, and the calibrated model is validated by comparing its predictions with the cyclic test data. It is shown capable of characterizing viscoelasticity, viscoplasticity, and complex loading paths. The micromechanics approach’s capabilities are demonstrated through homogenizing a unidirectional fiber-reinforced composite, subjected to uniaxial, biaxial, and shear loading, at different strain rates. It is demonstrated to be capable of handling rate dependence and complex loading paths. The present framework can be further improved by implementing more sophisticated viscoelasticity and viscoplasticity models in future work.

Finite element analysis↗
NASA NTRS1992

Theoretical study of thermodynamic properties and reaction rates of importance in the high-speed research program

One of the primary goals of NASA's high-speed research program is to determine the feasibility of designing an environmentally safe commercial supersonic transport airplane. The largest environmental concern is focused on the amount of ozone destroying nitrogen oxides (NO(x)) that would be injected into the lower stratosphere during the cruise portion of the flight. The limitations placed on NO(x) emission require more than an order of magnitude reduction over current engine designs. To develop strategies to meet this goal requires first gaining a fundamental understanding of the combustion chemistry. To accurately model the combustor requires a computational fluid dynamics approach that includes both turbulence and chemistry. Since many of the important chemical processes in this regime involve highly reactive radicals, an experimental determination of the required thermodynamic data and rate constants is often very difficult. Unlike experimental approaches, theoretical methods are as applicable to highly reactive species as stable ones. Also our approximation of treating the dynamics classically becomes more accurate with increasing temperature. In this article we review recent progress in generating thermodynamic properties and rate constants that are required to understand NO(x) formation in the combustion process. We also describe our one-dimensional modeling efforts to validate an NH3 combustion reaction mechanism. We have been working in collaboration with researchers at LeRC, to ensure that our theoretical work is focused on the most important thermodynamic quantities and rate constants required in the chemical data base.

Langhoff, Stephen↗
NASA NTRS1982

Improved perfect-fluid energy-momentum tensor with spin in Einstein-Cartan space-time

The description of the spin given here is classical in that it is intrinsic but not quantized. The approach in this matter is similar to, for example, the work of Bailey and Israel (1973, 1975, 1979), where the fluid particles, which have intrinsic spin, may be galaxies or clusters of galaxies. The elementary particles of these objects and the 'ferromagnetic alignment' of their quantum spins are not resorted to in order to describe a fluid with spin. Physically this means that the equation of motion for the spin tensor is a modified Fermi-Walker transport equation (Misner et al., 1973), arising as a direct result of the inclusion of spin as an intrinsic variable in the thermodynamic description of the internal energy. The variables in this description are classical variables throughout and are not microscopic fields. An improved perfect-fluid energy-momentum tensor that includes spin and torsion is presented. Use is made of a Lagrangian variational principle based on the tetrad formalism of Halbwach (1960) and the method od constraints of Ray (1972).

Ray, J. R.↗
NASA NTRS1997

Thermodynamic Studies of High Temperature Materials Via Knudsen Cell Mass Spectrometry

The Knudsen Cell technique is a classic technique from high temperature chemistry for studying condensed phase/vapor equilibria. It is based on a small enclosure, usually about 1 cm in diameter by 1 cm high, with an orifice of well-defined geometry. This forms a molecular beam which is analyzed with mass spectrometry. There are many applications to both fundamental and applied problems with high temperature materials. Specific measurements include vapor pressures and vapor compositions above solids, activities of alloy components, and fundamental gas/solid reactions. The basic system is shown. Our system can accommodate a wide range of samples, temperatures, and attachments, such as gas inlets. It is one of only about ten such systems world-wide.

Jacobson, Nathan S.↗
NASA NTRS2022

Cloud Adjustments From Large-Scale Smoke–Circulation Interactions Strongly Modulate the Southeastern Atlantic Stratocumulus-to-Cumulus Transition

Smoke from southern Africa blankets the southeastern Atlantic Ocean from June to October, producing strong and competing aerosol radiative effects. Smoke effects on the transition between overcast stratocumulus and scattered cumulus clouds are investigated along a Lagrangian (air-mass-following) trajectory in regional climate and large eddy simulation models. Results are compared with observations from three recent field campaigns that took place in August 2017: ObseRvations of Aerosols above CLouds and their intEractionS (ORACLES), CLouds and Aerosol Radiative Impacts and Forcing: Year 2017 (CLARIFY), and Layered Atlantic Smoke Interactions with Clouds (LASIC). The case study is set up around the joint ORACLES–CLARIFY flight that took place near Ascension Island on 18 August 2017. Smoke sampled upstream on an ORACLES flight on 15 August 2017 likely entrained into the marine boundary layer later sampled during the joint flight. The case is first simulated with the WRF-CAM5 regional climate model in three distinct setups: (1) FireOn, in which smoke emissions and any resulting smoke–cloud–radiation interactions are included; (2) FireOff, in which no smoke emissions are included; (3) RadOff, in which smoke emissions and their microphysical effects are included but aerosol does not interact directly with radiation. Over the course of the Lagrangian trajectory, differences in free tropospheric thermodynamic properties between FireOn and FireOff are nearly identical to those between FireOn and RadOff, showing that aerosol–radiation interactions are primarily responsible for the free tropospheric effects. These effects are non-intuitive: in addition to the expected heating within the core of the smoke plume, there is also a “banding” effect of cooler temperature (∼1–2 K) and greatly enhanced moisture (>2 g kg−1) at the plume top. This banding effect is caused by a vertical displacement of the former continental boundary layer in the free troposphere in the FireOn simulation resulting from anomalous diabatic heating due to smoke absorption of sunlight that manifests primarily as a few hundred meters per day reduction in large-scale subsidence over the ocean. A large eddy simulation (LES) is then forced with free tropospheric fields taken from the outputs for the WRF-CAM5 FireOn and FireOff runs. Cases are run by selectively perturbing one variable (e.g., aerosol number concentration, temperature, moisture, vertical velocity) at a time to better understand the contributions from different indirect (microphysical), “large-scale” semi-direct (above-cloud thermodynamic and subsidence changes), and “local” semi-direct (below-cloud smoke absorption) effects. Despite a more than 5-fold increase in cloud droplet number concentration when including smoke aerosol concentrations, minimal differences in cloud fraction evolution are simulated by the LES when comparing the base case with a perturbed aerosol case with identical thermodynamic and dynamic forcings. A factor of 2 decrease in background free tropospheric aerosol concentrations from the FireOff simulation shifts the cloud evolution from a classical entrainment-driven “deepening–warming” transition to trade cumulus to a precipitation-driven “drizzle-depletion” transition to open cells, however. The thermodynamic and dynamic changes caused by the WRF-simulated large-scale adjustments to smoke diabatic heating strongly influence cloud evolution in terms of both the rate of deepening (especially for changes in the inversion temperature jump and in subsidence) and in cloud fraction on the final day of the simulation (especially for the moisture “banding” effect). Such large-scale semi-direct effects would not have been possible to simulate using a small-domain LES model alone.

southeast Atlantic Ocean↗
NASA NTRS1982

Experimental studies of the vapor phase nucleation of refractory compounds. I - The condensation of SiO

The critical partial pressure of SiO necessary to initiate avalanche nucleation in the SiO-H2 system is measured as a function of the ambient temperature in the range 750-1000 K. Results show that the condensate produced at low temperatures is Si2O3, while a mixture of Si2O3 and amorphous SiO2 is produced at high temperatures. A surface energy of approximately 500 ergs/sq cm for the particles is found by analyzing the critical partial pressure vs temperature using classical nucleation theory. It is concluded that classical nucleation theory is not applicable to this system, because several inconsistencies in the thermodynamic analysis are demonstrated, and it is suggested that a kinetic theory of nucleation may be the preferential way to describe the condensation process.

Nuth, J. A.↗
NASA NTRS1983

Homogeneous nucleation kinetics

Homogeneous nucleation kinetics are rederived in a manner fundamentally similar to the approach of classical nucleation theory with the following modifications and improvements. First, the cluster is a parent phase cluster and does not require energization to the parent state. Second, the thermodynamic potential used to describe phase stability is a continuous function along the pathway of phase decomposition. Third, the kinetics of clustering corresponds directly to the diffusional flux of monomers through the cluster distribution and are formally similar to classical theory with the resulting kinetic equation modified by two terms in the preexponential factor. These terms correct for the influence of a supersaturation dependent clustering within the parent phase and for the influence of an asymmetrical cluster concentration as a function of cluster size at the critical cluster size. Fourth, the supersaturation dependence of the nucleation rate is of the same form as that given by classical nucleation theory. This supersaturation dependence must however be interpreted in terms of a size dependent surface tension. Finally, there are two scaling laws which describe supersaturation to either constant nucleation rate or to the thermodynamically determined physical spinodal.

Rasmussen, D. H.↗
NASA NTRS1991

On the thermodynamics of stress rate in the evolution of back stress in viscoplasticity

A thermodynamic foundation using the concept of internal state variables is presented for the kinematic description of a viscoplastic material. Three different evolution equations for the back stress are considered. The first is that of classical, nonlinear, kinematic hardening. The other two include a contribution that is linear in stress rate. Choosing an appropriate change in variables can remove this stress rate dependence. As a result, one of these two models is shown to be equivalent to the classical, kinematic hardening model; while the other is a new model, one which seems to have favorable characteristics for representing ratchetting behavior. All three models are thermodynamically admissible.

Freed, Alan D.↗
NASA NTRS1976

Thermodynamics and statistical mechanics

The basic thermodynamic properties of gases are reviewed and the relations between them are derived from the first and second laws. The elements of statistical mechanics are then formulated and the partition function is derived. The classical form of the partition function is used to obtain the Maxwell-Boltzmann distribution of kinetic energies in the gas phase and the equipartition of energy theorem is given in its most general form. The thermodynamic properties are all derived as functions of the partition function. Quantum statistics are reviewed briefly and the differences between the Boltzmann distribution function for classical particles and the Fermi-Dirac and Bose-Einstein distributions for quantum particles are discussed.

Source record↗
NASA NTRS1982

Model atmospheres, predicted spectra, and colors

Theoretical models of stellar atmospheres and the process of forming a spectrum are reviewed with particular reference to the spectra of B stars. In the case of classical models the stellar atmosphere is though to consist of plane parallel layers of gas in which radiative and hydrostatic equilibrium exists. No radiative energy is lost or gained in the model atmosphere, but the detailed shape of the spectrum is changed as a result of the interactions with the ionized gas. Predicted line spectra using statistical equilibrium local thermodynamic equilibrium (LTE), and non-LTE physics are compared and the determination of abundances is discussed. The limitations of classical modeling are examined. Models developed to demonstrate what motions in the upper atmosphere will do to the spectrum and to explore the effects of using geometries different from plane parallel layer are reviewed. In particular the problem of radiative transfer is addressed.

Source record↗
NASA NTRS1967

Investigation to define the propagation characteristics of a finite amplitude acoustic pressure wave

A theoretical analysis of the propagation characteristics of a finite amplitude pressure wave is presented. The analysis attempts to study the contribution of entropy-producing regions to the mechanism of aerodynamic noise generation. It results in a nonlinear convective wave equation in terms of entropy and a thermodynamic 'J' function. A direct analogy between the derived governing equation and those used in classical literature is obtained. An idealization of the processes considered permits the uncoupling of the equations of motion with a consequent construction of an acoustic analogy treating shock wave emission of finite amplitude acoustic waves. An engineering approach is reflected in the concept of an extended plug nozzle whose function is to facilitate aerodynamic noise attenuation by modifying the entropy-producing regions.

Peter, A. C.↗