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NASA NTRS2019

Production and Potential Detection of Functionalized Hexamethylene-Tetramine Compounds in Space

Laboratory studies have shown that exposure of mixed ices of astrophysical interest to ionizing radiation such as ultraviolet (UV) photons or energetic particles (electrons, protons) leads to the production of large numbers of new, more complex compounds. A significant portion of these new species appear to belong to a family of molecules that consist of hexamethylenetetramine (HMT; C6N4H12) and HMT to which different chemical side groups have been substituted for a peripheral H atom. This work presents the identification of HMT-methanol (HMT-CH2OH), one of these HMT variants, in organic residues produced from the UV irradiation of astrophysically relevant ice mixtures at < 20 K. We also present the infrared (IR) spectra of HMT, HMTCH2OH, and a number of other HMT variants computed using density functional theory (DFT) computations. These spectra can be compared with each other and show similarities that can be used to search for this family of compounds in space.

UV Irradiation↗

NASA NTRS1988

A numerical simulation of the full two-dimensional electrothermal de-icer pad

The ability to predict the time-temperature history of electrothermal de-icer pads is important in the subsequent design of improved and more efficient versions. These de-icer pads are installed near the surface of aircraft components, for the specific purpose of removing accreted ice. The proposed numerical model can incorporate the full 2-D geometry through a section of a region (i.e., section of an airfoil), that current 1-D numerical codes are unable to do. Thus, the effects of irregular layers, curvature, etc., can now be accounted for in the thermal transients. Each layer in the actual geometry is mapped via a body-fitted coordinate transformation into uniform, rectangular computational grids. The relevant heat transfer equations are transformed and discretized. To model the phase change that might occur in any accreted ice, in an enthalpy formulation the phase change equations are likewise transformed and discretized. The code developed was tested against numerous classical numerical solutions, as well as against experimental de-icing data on a UH1H rotor blade obtained from the NASA Lewis Research Center. The excellent comparisons obtained show that this code can be a useful tool in predicting the performance of current de-icer models, as well as in the designing of future models.

Masiulaniec, Konstanty C.↗

NASA NTRS1990

Numerical study of the effects of icing on finite wing aerodynamics

The sectional and total aerodynamics load characteristics of moderate aspect ratio wings with and without simulated glaze leading-edge ice are studied using a three-dimensional, compressible Navier-Stokes solver. The wing has an untwisted, untapered planform shape with NACA 0012 airfoil section. The aspect ratio of the wing is chosen to be 5. Comparisons of computed surface pressures and sectional loads with experimental data for identical configurations are given. The abrupt decrease in the wing stall angle as a result of the leading edge ice formation is numerically demonstrated.

Kwon, Oh J.↗

NASA NTRS1999

An Optimal Relation of Radar Reflectivity to Lightning Rate

Thunderstorms separate charge. Most places they lift positive charge or lower negative, a few places they lift negative or lower positive. The electrical generator is stronger in some parts of the cloud than in others. Our long term goal is to map this generator. Cloud physicists tell us that uncharged ice and water particles become charged by collision, and that the charge transferred depends on size, temperature and humidity. There is still some disagreement about exactly how the charge transferred depends on size, temperature, and humidity. In principle, if we knew this ice physics, and also knew the distribution of particles everywhere in the storm, and the winds everywhere and the temperature and humidity everywhere, then we could compute everywhere the electrical power of the thunderstorm generator. In practice it is difficult to know all these things, particularly the distribution of particles, so it is difficult to use real thunderstorms to falsify cloud electrification theories. We here take one small step towards computing that map of electrical generator power, by relating radar reflectivity profiles of 2000 storms to lightning flash rates of those storms. This small step by itself doesn't falsify any existing electrification theories; it merely places weak constraints on the relation of electric generator power to cloud ice.

Heckman, S.↗

NASA NTRS2021

Projected land ice contributions to twenty-first-century sea level rise

The land ice contribution to global mean sea level rise has not yet been predicted1 using ice sheet and glacier models for the latest set of socio-economic scenarios, nor using coordinated exploration of uncertainties arising from the various computer models involved. Two recent international projects generated a large suite of projections using multiple models2,3,4,5,6,7,8, but primarily used previous-generation scenarios9 and climate models10, and could not fully explore known uncertainties. Here we estimate probability distributions for these projections under the new scenarios11,12 using statistical emulation of the ice sheet and glacier models. We find that limiting global warming to 1.5 degrees Celsius would halve the land ice contribution to twenty-first-century sea level rise, relative to current emissions pledges. The median decreases from 25 to 13 centimetres sea level equivalent (SLE) by 2100, with glaciers responsible for half the sea level contribution. The projected Antarctic contribution does not show a clear response to the emissions scenario, owing to uncertainties in the competing processes of increasing ice loss and snowfall accumulation in a warming climate. However, under risk-averse (pessimistic) assumptions, Antarctic ice loss could be five times higher, increasing the median land ice contribution to 42 centimetres SLE under current policies and pledges, with the 95th percentile projection exceeding half a metre even under 1.5 degrees Celsius warming. This would severely limit the possibility of mitigating future coastal flooding. Given this large range (between 13 centimetres SLE using the main projections under 1.5 degrees Celsius warming and 42 centimetres SLE using risk-averse projections under current pledges), adaptation planning for twenty-first-century sea level rise must account for a factor-of-three uncertainty in the land ice contribution until climate policies and the Antarctic response are further constrained.

Tamsin L. Edwards↗

DOE OSTI2023

Distance-dependent dielectric constant at the calcite/electrolyte interface: Implication for surface complexation modeling

Hypothesis: The electrical double layer formed at the mineral/electrolyte interface is often modeled using mean-field approaches based on a continuum description of the solvent whose dielectric constant is assumed to decrease monotonically with decreasing distance to the surface. In contrast, molecular simulations show that the solvent polarizability oscillates near the surface similar to the water density profile - as shown previously, for example, by Bonthuis et al. (D.J. Bonthuis, S. Gekle, R.R. Netz, Dielectric Profile of Interfacial Water and its Effect on Double-Layer Capacitance, Phys Rev Lett 107(16) (2011) 166102). Here, we showed that molecular and mesoscale pictures agree by spatially averaging the dielectric constant obtained from molecular dynamics simulations over the distances relevant to the mean-field representation. In addition, the values of capacitances used to describe the electrical double layer in Surface Complexation Models (SCMs) of the mineral/electrolyte interface can be estimated using molecularly informed spatially averaged dielectric constants and positions of hydration layers. Experiments: First, we used molecular dynamics simulations to model the calcite 101¯4/electrolyte interface. Next, by using atomistic trajectories, we calculated the distance-dependent static dielectric constant and water density in the direction normal to the. Finally, we applied spatial compartmentalization consistent with the model of parallel-plate capacitors connected in series to estimate SCM capacitances. Findings: Computationally expensive simulations are required to determine the dielectric constant profile of interfacial water near the mineral surface. On the other hand, water density profiles are readily assessable from much shorter simulation trajectories. Our simulations confirmed that dielectric and water density oscillations at the interface are correlated. Here, we parametrized linear regression models to estimate the dielectric constant directly from the local water density. This is a significant computational shortcut compared to slowly converging calculations relying on total dipole moment fluctuations. The amplitude of the interfacial dielectric constant oscillation can exceed the dielectric constant of the bulk water, suggesting an ice-like frozen state, but only if there are no electrolyte ions. The interfacial accumulation of electrolyte ions causes a decrease in the dielectric constant due to the reduction of water density and re-orientation of water dipoles in ion hydration shells. Finally, we show how to use the computed dielectric properties to estimate SCM's capacitances.

58 GEOSCIENCES↗

DOE OSTI2025

Hydraulic Conductivity Measurements, Utqiagvik (Barrow), Alaska, 2014

Six individual ice cores were collected from the Barrow Environmental Observatory in Barrow, Alaska, in May of 2013 as part of the Next Generation Ecosystem Experiment (NGEE). Each core was drilled at a different location to varying depths. After drilling, the cores were stored in coolers packed with dry ice and flown to Lawrence Berkeley National Laboratory (LBNL) in Berkeley, CA. 3-dimensional images of the cores were constructed using medical X-ray computed tomography (CT) scanner at 120kV. Hydraulic conductivity samples were extracted from these cores at LBNL Richmond Field Station in Richmond, CA, in February 2014 by cutting 5 to 8 inch segments using a chop saw. Samples were packed individually and stored at -20C freezing temperatures to minimize any changes in structure or loss of ice content prior to analysis. Hydraulic conductivity was determined through falling head tests using a permeameter [ELE International, Model #: K-770B] (Appendix A). Samples were placed in a latex membrane via a membrane stretcher while frozen. Use of a membrane stretcher made the membranes easier to secure and minimized contact with the sample. A clear polycarbonate sleeve, fabricated with a stainless steel ring at the bottom to keep the sleeve from floating, was placed around the sample inside the permeameter to minimize deformation during analysis. The permeameter was filled with water and 1.0 PSI of air was applied for confining pressure during sample defrost. Outflow valves were left open to allow for incremental thawing and samples were left to thaw for approximately 12 hours. After approximately 12 hours of thaw, initial falling head tests were performed. When the flow was significantly too fast or too slow, the analysis was stopped and the burette size was adjusted accordingly (i.e. a larger diameter burette was used for flows that were faster than desired or a smaller diameter burette was used for flows that were slower than desired). Two to four measurements were collected on each sample and collection stopped when the applied head load exceeded 25% change from the original load. Analyses were performed between 2 to 3 times for each sample. The final hydraulic conductivity calculations were computed using methodology of Das et al., 1985.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 15-year research effort (2012-2027) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

High-speed impact of micron-sized diesel drop trains—Splashing dynamics, secondary droplet formation, and effects of pre-existing film thickness

This work investigates surface impingement of monodispersed diesel drop trains using computational simulations. The three-dimensional simulations include high-speed impact of micrometer-sized fuel drops onto initially dry and wetted stainless steel substrates. The drop size and impact velocity are representative of fuel injection conditions in internal combustion engines (ICEs). The drop trains serve as a simplified representation of fuel spray. To accurately capture the film that naturally develops on initially dry substrates, a dynamic diesel-stainless steel contact angle model was developed using experiments of single drop impact under ICE representative temperature. Simulations are presented for a highly splashing case and the effects of a pre-existing film on splashing dynamics were investigated, including the temporal evolution of splashed mass and film thickness. It was concluded that for thin films, the effect of pre-existing film thickness is less significant than in single drop impingement. Secondary droplet characterization was performed on simulation results, leading to instantaneous and time-averaged distributions of secondary droplet size, velocity magnitude, and trajectory angle. It was found that for each drop impingement, approximately 58% of the splashed mass is from the impinging drop itself, while the remainder of the splashed mass is composed of film liquid. From a high resolution case, details of secondary droplet formation are observed and three distinct phases of secondary droplet formation are identified. The detailed analysis of drop train impingement under engine-relevant conditions serves as a first step toward a robust understanding of fuel impingement and the development of cleaner and more efficient ICEs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1993

Importance of aggregation and small ice crystals in cirrus clouds, based on observations and an ice particle growth model

The 1 November 1986 FIRE I case study was used to test an ice particle growth model which predicts bimodal size spectra in cirrus clouds. The model was developed from an analytically based model which predicts the height evolution of monomodal ice particle size spectra from the measured ice water content (IWC). Size spectra from the monomodal model are represented by a gamma distribution, N(D) = N(sub o)D(exp nu)exp(-lambda D), where D = ice particle maximum dimension. The slope parameter, lambda, and the parameter N(sub o) are predicted from the IWC through the growth processes of vapor diffusion and aggregation. The model formulation is analytical, computationally efficient, and well suited for incorporation into larger models. The monomodal model has been validated against two other cirrus cloud case studies. From the monomodal size spectra, the size distributions which determine concentrations of ice particles less than about 150 mu m are predicted.

Mitchell, David L.↗

DOE OSTI2026

Phase-field model of freeze casting

Directional solidification of water-based solutions has emerged as a versatile technique for templating hierarchical porous materials. However, the underlying mechanisms of pattern formation remain incompletely understood. In this work, we present a detailed derivation and analysis of a quantitative phase-field model for simulating this nonequilibrium process. The phase-field model extends the thin-interface formulation of dilute binary alloy solidification with antitrapping to incorporate the highly anisotropic energetic and kinetic properties of the partially faceted ice-water interface. This interface is faceted in the basal plane normal to the ⟨0001⟩ directions and atomically rough in other directions within the basal plane. On the basal plane, the model reproduces a linear or nonlinear relationship between the interface growth rate and the kinetic undercooling that can be linked to experimental measurements. In both cases, spontaneous parity breaking of the solidification front is observed when the preferred growth direction is aligned with the temperature gradient. This phenomenon leads to the formation of partially faceted ice lamellae that drift laterally in one of the ⟨0001⟩ directions. Here, we demonstrate that the drifting velocity of the ice lamellae is controlled by the kinetics on the basal plane and converges as the thickness of the diffuse solid-liquid interface decreases. Furthermore, we examine the effect of the form of the kinetic anisotropy, which is chosen here such that the inverse of the kinetic coefficient varies linearly from a finite value in the ⟨0001⟩ directions to zero in all other directions within the basal plane, consistent with the assumption that the interface grows in local thermodynamic equilibrium in this plane. Our results indicate that the drifting velocity of ice lamellae is not affected by the slope of this linear relation, and the radius and undercooling at the tip of an ice lamella converge at relatively small slope values. Consequently, the phase-field simulations remain quantitative with computationally tractable choices of both the interface thickness and the slope assumed in the form of the kinetic anisotropy.

Materials science↗

DOE OSTI2020

Contributions to the Surface Downwelling Longwave Irradiance during Arctic Winter at Utqiaġvik (Barrow), Alaska

Intrusions of warm, moist air into the Arctic during winter have emerged as important contributors to Arctic surface warming. Previous studies indicate that temperature, moisture, and hydrometeor enhancements during intrusions all make contributions to surface warming via emission of radiation down to the surface. Here, datasets from instrumentation at the Atmospheric Radiation Measurement User Facility in Utqiaġvik (formerly Barrow) for the six months from November through April for the six winter seasons of 2013/14–2018/19 were used to quantify the atmospheric state. These datasets subsequently served as inputs to compute surface downwelling longwave irradiances via radiative transfer computations at 1-min intervals with different combinations of constituents over the six winter seasons. The computed six winter average irradiance with all constituents included was 205.0 W m −2 , close to the average measured irradiance of 206.7 W m −2 , a difference of −0.8%. During this period, water vapor was the most important contributor to the irradiance. The computed average irradiance with dry gas was 71.9 W m −2 . Separately adding water vapor, liquid, or ice to the dry atmosphere led to average increases of 2.4, 1.8, and 1.6 times the dry atmosphere irradiance, respectively. During the analysis period, 15 episodes of warm, moist air intrusions were identified. During the intrusions, individual contributions from elevated temperature, water vapor, liquid water, and ice water were found to be comparable to each other. These findings indicate that all properties of the atmospheric state must be known in order to quantify the radiation coming down to the Arctic surface during winter.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1990

A numerical simulation of the flow in the diffuser of the NASA Lewis icing research tunnel

The flow in the diffuser section of the Icing Research Tunnel at the NASA Lewis Research Center is numerically investigated. To accomplish this, an existing computer code is utilized. The code, known as PARC3D, is based on the Beam-Warming algorithm applied to the strong conservation law form of the complete Navier-Stokes equations. The first portion of the paper consists of a brief description of the diffuser and its current flow characteristics. A brief discussion of the code work follows. Predicted velocity patterns are then compared with the measured values.

Addy, Harold E., Jr.↗

NASA NTRS1990

A numerical simulation of the flow in the diffuser of the NASA Lewis Icing Research Tunnel

Addy, Harold E., Jr.↗

NASA NTRS1993

Evidence for proton cyclotron waves near Comet Giacobini-Zinner

We have computed frequency spectra of power density and polarization parameters of magnetohydrodynamic waves from observations on board the ICE spacecraft as it flew past Comet Giacobini-Zinner on September 11, 1985. Since the spectral parameters are frequency dependent, we find that the analysis is best carried out in a 'wave' reference frame where one of the major axes is along the wave normal direction for each frequency component. The power density along the wave normal direction shows a systematic peak structure which we identify as belonging to cyclotron wave harmonics of pickup ions near the comet. The fundamental harmonics of the cyclotron waves are also consistent with the gyrofrequencies calculated from the magnetic field data.

Tan, L. C.↗

NASA NTRS1996

Permeability of Rigid Fibrous Refractory Insulations

Rigid fibrous refractory insulations (TPS tiles) are integral components of many spacecraft thermal protection systems. These materials are composed of refractory fibers With diameters on the order of 1 to 15 micrometers. They are lightweight and have an open, highly porous microstructure. Typical densities are less than 500 kilograms per cubic meters, and porosities generally exceed 0.8. Because of their open porosity, these materials are permeable to gas glow. There are numerous instances in which internal gas transport in a thermal protection system could be important; examples include the penetration of hot boundary-layer gases into the insulation, the flow of decomposition (pyrolysis) products from the interior, the use of convective flows to mitigate ice formation caused by cryopumping, and the design of refractory vents for pressure equilibration during atmospheric entry. Computational analysis of gas flow through porous media requires values of permeability which have not previously been available for the rigid fibrous insulations used in thermal protection systems. This paper will document measurements of permeability for a variety of insulations from NASA's LI, FRCI, and AETB families of lightweight ceramic ablators. The directional anisotropy of permeability and its dependence on gas pressure and material density will be presented. It will be shown that rarified-flow effects are significant in the flow through such materials. Connections will be drawn between the insulation microstructure and permeability. The paper will also include representative computations of flow through rigid fibrous insulations.

Marschall, J.↗

NASA NTRS2009

Impact Testing on Reinforced Carbon-Carbon Flat Panels with Ice Projectiles for the Space Shuttle Return to Flight Program

Following the tragedy of the Orbiter Columbia (STS-107) on February 1, 2003, a major effort commenced to develop a better understanding of debris impacts and their effect on the space shuttle subsystems. An initiative to develop and validate physics-based computer models to predict damage from such impacts was a fundamental component of this effort. To develop the models it was necessary to physically characterize reinforced carbon-carbon (RCC) along with ice and foam debris materials, which could shed on ascent and impact the orbiter RCC leading edges. The validated models enabled the launch system community to use the impact analysis software LS-DYNA (Livermore Software Technology Corp.) to predict damage by potential and actual impact events on the orbiter leading edge and nose cap thermal protection systems. Validation of the material models was done through a three-level approach: Level 1--fundamental tests to obtain independent static and dynamic constitutive model properties of materials of interest, Level 2--subcomponent impact tests to provide highly controlled impact test data for the correlation and validation of the models, and Level 3--full-scale orbiter leading-edge impact tests to establish the final level of confidence for the analysis methodology. This report discusses the Level 2 test program conducted in the NASA Glenn Research Center (GRC) Ballistic Impact Laboratory with ice projectile impact tests on flat RCC panels, and presents the data observed. The Level 2 testing consisted of 54 impact tests in the NASA GRC Ballistic Impact Laboratory on 6- by 6-in. and 6- by 12-in. flat plates of RCC and evaluated three types of debris projectiles: Single-crystal, polycrystal, and "soft" ice. These impact tests helped determine the level of damage generated in the RCC flat plates by each projectile and validated the use of the ice and RCC models for use in LS-DYNA.

Melis, Matthew E.↗

NASA NTRS2006

Internal Structure of Rhea

We model the interior of Rhea on the basis of observational constraints and the results from geodynamical models available in the literature. Ten main types of models are defined, depending on the presence or absence of a high-pressure ice layer (ice II), and the extent of separation of the rock component from the volatiles. The degree-two gravity coefficients are computed for each of these models in order to assess which properties of the interior are likely to be inferred from Cassini radio science measurements scheduled on 26 November 2005. C22 greater than 2.5 x 10(exp -4) indicates that the satellite is undifferentiated, except for a slight increase in density with depth resulting from material self-compression. C22 between 1.67 x 10(exp -4)(lower bound) and 1.90 x 10(exp -4) indicates the presence of a rocky core, whose radius can be determined from the satellite's mass and ices densities, for a given temperature profile. For other values, most of the ten models cannot be distinguished from each other. However, assumptions on the density of the rock phase, presence or absence of ice II, and the degree of differentiation could allow a unique model to be determined in many cases. While the calculation presented in this work assumes that Rhea is in hydrostatic equilibrium, it is likely that Rhea' gravity field is partly affected by nonhydrostatic anomalies.

gravity science↗

NASA NTRS1985

Navier-Stokes computations for exotic airfoils

An efficient hyperbolic grid generator with improvements for handling sharp corners and concave surfaces is combined with an efficient and accurate Navier-Stokes flow solver. This combination is applied to some rather complex two-dimensional airfoil configurations. Steady separated flow about an iced leading edge of an airfoil is presented. Unsteady viscous separated flows past an airfoil at two angles of attack with a spoiler deployed at 60 degrees are presented and compared with experiment. The spoiler computations are performed with two different topological maps of the physical domain to the computational domain. Innovative graphical techniques for both the static and unsteady display of the flow fields are presented and discussed.

Barth, T. J.↗