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DOE OSTI2023

To what extent can decommissioning options for marine artificial structures move us toward environmental targets?

Switching from fossil fuels to renewable energy is key to international energy transition efforts and the move toward net zero. For many nations, this requires decommissioning of hundreds of oil and gas infrastructure in the marine environment. Current international, regional and national legislation largely dictates that structures must be completely removed at end-of-life although, increasingly, alternative decommissioning options are being promoted and implemented. Yet, a paucity of real-world case studies describing the impacts of decommissioning on the environment make decision-making with respect to which option(s) might be optimal for meeting international and regional strategic environmental targets challenging. To address this gap, we draw together international expertise and judgment from marine environmental scientists on marine artificial structures as an alternative source of evidence that explores how different decommissioning options might ameliorate pressures that drive environmental status toward (or away) from environmental objectives. Synthesis reveals that for 37 United Nations and Oslo-Paris Commissions (OSPAR) global and regional environmental targets, experts consider repurposing or abandoning individual structures, or abandoning multiple structures across a region, as the options that would most strongly contribute toward targets. This collective view suggests complete removal may not be best for the environment or society. However, different decommissioning options act in different ways and make variable contributions toward environmental targets, such that policy makers and managers would likely need to prioritise some targets over others considering political, social, economic, and ecological contexts. Current policy may not result in optimal outcomes for the environment or society.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Parallel Implicit Hydrodynamics with Material Strength for High Explosive Burn Calculations

High explosives are almost always evolving in some form of metal containment vessel. This fact requires that a materials model for the evolution of the metal containment vessel be part of any simulation of the HE. Since the actual form of the strength model to be used is an open question, we incorporate the material strength properties in a relatively agnostic fashion, which will accommodate many strength models. The only restriction is that the stress components be a function of density, specific internal energy and velocities. In addition, the timescales and rates of the chemical reactions in the HE vary between thousands of seconds and nanoseconds. A hydrodynamics capable of operating in anticipation of the eventual violent release of energy via these chemical reactions is a necessity. The central issue in creating a hydrodynamics capable of spanning these timescales is to forgo the use of a Courant time step control necessary in an explicit hydrodynamics. The Courant time-step arises because of characteristic velocities associated with the material, such as the sound speed or, in materials with strength, characteristic longitudinal and transverse speeds associated with compression and shear. The method used to circumvent the need for a Courant time-step limit is to develop an implicit calculation of the advanced particle pressure and shear modulus derived from the conservation laws of mass, momentum and specific internal energy. This process creates the implicit hydrodynamics needed for the HE calculations of interest to this study.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Two-Color IRMPD Applied to Conformationally Complex Ions: Probing Cold Ion Structure and Hot Ion Unfolding

Two-color infrared multiphoton dissociation (2C-IRMPD) spectroscopy is a technique that mitigates spectral distortions due to nonlinear absorption that is inherent to one-color IRMPD. We use a 2C-IRMPD scheme that incorporates two independently tunable IR sources, providing considerable control over the internal energy content and type of spectrum obtained by varying the trap temperature, the time delays and fluences of the two infrared lasers, and whether the first or second laser wavelength is scanned. In this work, we describe the application of this variant of 2C-IRMPD to conformationally complex peptide ions. The 2C-IRMPD technique is used to record near-linear action spectra of both cations and anions with temperatures ranging from 10 to 300 K. In this work, we also determine the conditions under which it is possible to record IR spectra of single conformers in a conformational mixture. Furthermore, we demonstrate the capability of the technique to explore conformational unfolding by recording IR spectra with widely varying internal energy in the ion. The protonated peptide ions YGGFL (NH 3 + -Tyr-Gly-Gly-Phe-Leu, Leu-enkephalin) and YGPAA (NH 3 + -Tyr-Gly-Pro-Ala-Ala) are used as model systems for exploring the advantages and disadvantages of the method when applied to conformationally complex ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1978

Impact flows and crater scaling on the moon

The axisymmetric distribution of stress, internal energy, and particle velocity resulting from the impact of an iron meteoroid with a gabbroic anorthosite lunar crust has been calculated for the regime in which shock-induced melting and vaporization take place. Comparison of impact flow fields, with phase changes in silicates taken into account, with earlier results demonstrate that in the phase-change case where the 15-km/s projectile has penetrated some two projectile radii into the moon, the peak stress in the flow is about 0.66 Mbar at a depth of 66 km, and the stress has decayed to about 66 kbar at a depth of 47 km. Rapid attenuation occurs because of the high rarefaction velocity of the high-pressure phases associated with a 35% (zero-pressure) density increase. This feature of the phase-change flow tends to concentrate strongly the maximum shock pressures along the meteoroid trajectory (axis) and makes the conical zone along which high internal energy deposition occurs both shallow and narrow. Examination of the gravitational energies required to excavate larger craters on the moon indicates the importance of gravity forces acting during the excavation of craters having radii in the range greater than about 2 to 140 km.

Okeefe, J. D.↗

DOE OSTI2024

Impact of magnetic and electric fields on the free energy to form a calcium carbonate ion-pair

Electromagnetic fields are used in water treatment and desalination to regulate scale formation and extend the lifetime of membranes. External electric and magnetic fields can promote or suppress mineral nucleation and growth. However, the molecular-scale mechanisms of such processes remain unknown. Computing the free energies needed to form ion pairs under external fields provides important insights into understanding the elemental steps during the initial formation of mineral scales. In this paper, we used molecular dynamics combined with metadynamics simulations to investigate the free energies of forming the [Ca–CO 3 ] 0 ion pair, a fundamental building block of carbonate scales, under a range of magnetic (up to 10 T) and electric (up to 10 V m −1 ) fields in water. The presence of constant magnetic or electric fields favored the ion pairing reaction and lowered the free energies by up to 3% to 6%. The internal energy and entropic components of the free energy showed significant changes and exhibited non-linear behavior with increasing field strength. The [Ca–CO 3 ] 0 ion pairing is an entropy-driven process in the absence of an external field, but the mechanism shifts to an internal energy-driven process under selected external fields, suggesting possible changes in the nucleation pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Potential energy savings benefits and limitations of radiative cooling coatings for U.S. residential buildings

We report radiative coatings are a promising strategy to implement passive cooling that provides an eco-friendly pathway to achieve energy efficiency in buildings. This study investigates the benefits and limitations of implementing radiative coatings on the building envelope, particularly the roof, of residential buildings in the United States. The analysis compares the performance of an ideal radiative coating with broadband surface properties to a realistic radiative coating with diffuse and semitransparent properties. To enhance the net energy efficiency of buildings, we carried out a comprehensive parametric analysis comprising key radiation surface properties to maximize cooling energy savings while minimizing heating energy penalties. A countrywide assessment for 68 locations across the United States showed that net energy savings are a strong function of the climatic and atmospheric conditions. Broadly, southern locations showed high overall energy savings whereas northern locations exhibited high overall energy penalties. Locations in International Energy Conservation Code (IECC) climate zones 1A, 2A, and 2B showed a net annual energy savings above 5%, whereas locations in IECC climate zones 5B, 6B, and 7 showed a net annual energy penalty greater than 3%. The hot and dry climate of Phoenix, Arizona, showed the highest overall energy savings of 426 kWh (6.2%). Additionally, the mathematical correlation reveals that the net energy savings of a location is positive only when its average cooling degree days is greater than 5.5 or its average heating degree days is less than 10.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Definition of the IEA Wind 22-Megawatt Offshore Reference Wind Turbine

This technical report describes the design of a new 22 Megawatt reference wind turbine (RWT). The turbine model was designed collaboratively by two teams at the Denmark Technical University and at the National Renewable Energy Laboratory within the International Energy Agency (IEA) Wind Technology Commercialization Programme (TCP) Task 55 on Reference Wind Turbines and Farms. RWTs serve an important purpose in the wind energy community, since they provide openly available data for models representative of current wind turbine technology, which can be used by practitioners for a variety of modeling purposes, ranging from aerodynamic, structural, and aeroelastic turbine modeling to wind farm flow modeling, across a range of fidelities. The IEA 22 RWT aims to model machines with projected installation in the 2025-2030 time frame. The turbine has a rotor diameter of 284 meters and a hub height of 170 meters. It is a class 1-B machine with a rotor specific power nearing 350 W m -2 and it is mounted on either a fixed-bottom offshore foundation or a semi-submersible floating platform.

17 WIND ENERGY↗

NASA NTRS1983

On the equation of state of solar wind ions derived from Helios measurements

The radial evolution of such adiabatic invariants as the ion magnetic moments are studied on the basis of solar wind ion velocity distribution observations made by the Helios spacecraft between 0.3 and 1 AU. Significant differences between proton and alpha-particle parameters in wind velocity dependence are noted, and adiabaticity is on the average found to be violated. This violation is interpreted as evidence that protons are heated perpendicular to the field in fast streams. The contribution of the differential streaming energy to the total internal energy of the ions is also considered, and average heliocentric radial profiles for the ion heat fluxes are presented together with an examination of a possible ion heat flux role in the supply of thermal energy during the winds radial expansion. The present findings suggest that wave-particle interactions, and/or Coulomb collisions, are required to explain solar wind ion thermal energy states and radial temperature profiles.

Marsch, E.↗

NASA NTRS1987

Chemical interactions in Low Earth Orbit (LEO)

Although several observations of material changes on-orbit have been reported, mechanistic understanding has not yet become clear because new sets of non-intuitive processes are occurring on orbit. Reactant kinetic energy, low collision rates and surface/adsorbate interactions must be considered in the analysis of these observations. The specific example of oxide formation of elemental materials is examined in terms of thermodynamics and possible reaction pathways. On the basis of this approach, a rational trend emerges from the orbital behavior of these samples. The role of reactant kinetic energy as opposed to internal energy in chemiluminescent product formation is also presented. Development of a systematic thermochemical approach may be useful in making screening predictions of long-term material behavior on-orbit.

Green, B. D.↗

NASA NTRS1989

Statistical fluctuations in Monte Carlo calculations

The time counter and modified Nanbu simulation techniques are analyzed, with emphasis placed on the convergence of the calculations to a steady macroscopic state. Such variables as translational and rotational temperature, and flow velocity, sampled at several points in the flowfield, are considered. Both macroscopic averages and molecular distribution functions are analyzed. The calculation of inelastic collisions, in which transfer of energy between translational and internal energy modes is performed, is achieved through the use of the Larsen-Borgnakke phenomenological model. It is noted that, with reference to translational temperature, the time counter method shows less statistical scatter than that found with the modified Nanbu simulation technique.

Boyd, I. D.↗

NASA NTRS1993

Large eddy simulation of shock turbulence interaction

A nonconservative formulation of the energy equation (solving for internal energy) was used to perform large eddy simulations of compressible turbulence in Moin et al. due to its simplicity in implementing SGS models compared to the conservative formulation (solving for total energy). In problems with shocks in the domain, however, the total energy formulation is preferred due to its conservative nature. A conservative set of equations for the LES were derived from the nonconservative equations derived by Moin et al. Performance of the conservative formulation was compared with the experiment on decaying grid-generated turbulence as well as with the filtered DNS field. Various shock-capturing schemes were tested, and an ENO shock-capturing scheme of Shu and Osher was chosen for the simulation of shock/turbulence interaction. The scheme was tested and validated against the data base generated by DNS of weak shock waves. The results obtained with the essentially nonoscillatory (ENO) scheme were within 5 percent from the DNS results, and used less than 25 percent of the CPU time used in the DNS.

Lee, Sangsan↗

NASA NTRS1993

Effects of hydrodynamics and thermal radiation in the atmosphere after comet impacts

Radiation phenomena in the atmosphere after impacts of cosmic bodies have special features in comparison with the surface nuclear explosions. First, initial concentration of energy after the impact is lower, and second, a wake after the passage of the meteoroid through the atmosphere has a dramatic effect on the atmospheric flow and radiation transfer. Consequently, scaling laws can not be employed for prediction of the flow in the atmosphere and the light flux on the Earth's surface. If a density of high-velocity impactor is low relative to the ground, as in a case of a comet impact on rocks, a major part of the kinetic energy is converted to internal energy of dense hot vapors. But radiation effects can be essential even for fairly low velocities of the impactor. To clarify this issue we have undertaken calculations of 100-Mt explosions at the Earth's surface caused by small comets with velocities from 10 to 70 km/sec. That is, the initial concentration of energy has been varied. The calculations have shown that for velocities of the comet greater or about 20 km/sec a portion of energy emitted from the fireball exceeds 20% of the total energy of the explosion and this quantity does not change very much with the velocity. Other aspects of this investigation are discussed.

Nemchinov, I. V.↗

NASA NTRS1994

The intact capture of hypervelocity dust particles using underdense foams

The impact of a hypervelocity projectile (greater than 3 km/s) is a process that subjects both the impactor and the impacted material to a large transient pressure distribution. The resultant stresses cause a large degree of fragmentation, melting, vaporization, and ionization (for normal densities). The pressure regime magnitude, however, is directly related to the density relationship between the projectile and target materials. As a consequence, a high-density impactor on a low-density target will experience the lowest level of damage. Historically, there have been three different approaches toward achieving the lowest possible target density. The first employs a projectile impinging on a foil or film of moderate density, but whose thickness is much less than the particle diameter. This results in the particle experiencing a pressure transient with both a short duration and a greatly reduced destructive effect. A succession of these films, spaced to allow nondestructive energy dissipation between impacts, will reduce the impactor's kinetic energy without allowing its internal energy to rise to the point where destruction of the projectile mass will occur. An added advantage to this method is that it yields the possibility of regions within the captured particle where a minimum of thermal modification has taken place. Polymer foams have been employed as the primary method of capturing particles with minimum degradation. The manufacture of extremely low bulk density materials is usually achieved by the introduction of voids into the material base. It must be noted, however, that a foam structure only has a true bulk density of the mixture at sizes much larger than the cell size, since for impact processes this is of paramount importance. The scale at which the bulk density must still be close to that of the mixture is approximately equal to the impactor. When this density criterion is met, shock pressures during impact are minimized, which in turn maximizes the probability of survival for the impacting particle. The primary objectives of the experiment are to (1) Examine the morphology of primary and secondary hypervelocity impact craters. Primary attention will be paid to craters caused by ejecta during hypervelocity impacts of different substrates. (2) Determine the size distribution of ejecta by means of witness plates and collect fragments of ejecta from craters by means of momentum-sensitive mcropore foam. (3) Assess the directionality of the flux by means of penetration-hole alignment of thin films placed above the cells. (4) Capture intact the particles that perforated the thin film and entered the cell. Capture media consisted of both previously flight-tested micropore foams and aerogel. The foams had different latent heats of fusion and, accordingly, will capture particles over a range of momenta. Aerogel was incorporated into the cells to determine the minimum diameter than can be captured intact.

Maag, Carl R.↗

NASA NTRS1995

Modeling of the coupled magnetospheric and neutral wind dynamos

Work at SRI involved modeling the exchange of electromagnetic energy between the ionosphere and magnetosphere to help interpret the DE-B Poynting flux observations. To describe the electrical properties of the high-latitude ionosphere, we constructed a numerical model, from the framework provided by the Vector Spherical Harmonic (VSH) model, that determines the ionospheric currents, conductivities, and electric fields including both magnetospheric inputs and neutral wind dynamo effects. This model development grew from the earlier question of whether an electrical energy source in the ionosphere was capable of providing an upward Poynting flux. The model solves the steady-state neutral wind dynamo equations and the Poynting flux equation to provide insight into the electrodynamic role of the neutral winds. The modeling effort to determine the high-latitude energy flux has been able to reproduce many of the large-scale features observed in the Poynting flux measurements made by DE-2. Because the Poynting flux measurement is an integrated result of energy flux into or out of the ionosphere, we investigated the ionospheric properties that may contribute to the observed flux of energy measured by the spacecraft. During steady state the electromagnetic energy flux, or DC Poynting flux, is equal to the Joule heating rate and the mechanical energy transfer rate in the high-latitude ionosphere. Although the Joule heating rate acts as an energy sink, transforming electromagnetic energy into thermal or internal energy of the gas, the mechanical energy transfer rate may be either a sink or source of electromagnetic energy. In the steady state, it is only the mechanical energy transfer rate that can generate electromagnetic energy and result in a DC Poynating flux that is directed out of the ionosphere.

Thayer, J. P.↗

NASA NTRS2003

Pulsed Inductive Thruster (PIT): Modeling and Validation Using the MACH2 Code

Numerical modeling of the Pulsed Inductive Thruster exercising the magnetohydrodynamics code, MACH2 aims to provide bilateral validation of the thruster's measured performance and the code's capability of capturing the pertinent physical processes. Computed impulse values for helium and argon propellants demonstrate excellent correlation to the experimental data for a range of energy levels and propellant-mass values. The effects of the vacuum tank wall and massinjection scheme were investigated to show trivial changes in the overall performance. An idealized model for these energy levels and propellants deduces that the energy expended to the internal energy modes and plasma dissipation processes is independent of the propellant type, mass, and energy level.

Schneider, Steven↗

NASA NTRS2016

Temperature-Staged Thermal Energy Storage Enabling Low Thermal Exergy Loss Reflux Boiling in Full Spectrum Solar Systems

Hybrid full spectrum solar systems (FSSS) designed to capture and convert the full solar wavelength spectrum use hybrid solar photovoltaic/thermodynamic cycles that require low thermal exergy loss systems capable of transferring high thermal energy rates and fluxes with very low temperature differentials and losses. One approach to achieving this capability are high-heat-flux reflux boiling systems that take advantage of high heat transfer boiling and condensation mechanisms. Advanced solar systems are also intermittent by their nature and their electrical generation is often out-of-phase with electric utility power demand, and their required power system cycling reduces efficiency, performance (dispatch ability), lifetime, and reliability. High temperature thermal energy storage (TES) at 300-600°C enables these reflux boiling systems to simultaneously store thermal energy internally to increase the energy dispatch ability of the associated solar system, as this can increase the power generation profile by several hours (up to 6-10 hours) per day. Many TES phase change materials (PCM’s) exist including KNO3, NaNO3, LiBr/KBr, MgCl2/NaCl/KCl, Zn/Mg, and CuCl/NaCl, which have various operating melting points and different latent heats of fusion. Common, cost effective TES PCM's are FeCl2/NaCl/KCl mixtures, whose phase change temperature can be varied and controlled by simple composition adjustments. This paper presents and discusses unique "temperature-staged" thermal energy storage configurations using these TES materials and analysis of such systems integrated into high-heat-flux reflux boiling systems. In this specific application, the TES materials are designed to operate at staged temperatures surrounding an operating design point near 350°C, while providing 18 kW of source heat transfer to operate a thermoacoustic power system during off-sun conditions (e.g., temporary cloud conditions, after sun-down). This work discusses relevant configurations, and critical thermal and entropy models of the TES configurations, which show the inherent minimization of thermal exergy during critical heat transfers within the configurations and systems envisioned.

Hendricks, Terry J.↗

NASA NTRSDate not supplied

Discrete Rotational Energy for Polyatomic Molecules in Direct Simulation Monte Carlo

The environments experienced by vehicles upon entry into planetary atmospheres generally result in severe aerothermodynamic loading. These flows are characterized by the formation of strong shock waves, behind which high temperatures and non-equilibrium environments are generated, and the accurate prediction of internal energy relaxation and chemical kinetics becomes important. This manuscript focuses on the internal relaxation of the rotational energy of polyatomic molecules. Previous work has described the implementation of a discrete rotational energy model for diatomic molecules (linear rotators). Later, Gimelshein et. al extended this model to include polyatomic molecular internal energies. However, they did not include details on how to generate the particles at equilibrium conditions and centrifugal distortion was not included in their model. The purpose of the present study is to extend the afore-mentioned models to the treatment of discrete rotational energy in polyatomic molecules with the addition of centrifugal distortion. An overview of the background theory needed for the implementation of the model will be given followed by the model itself and verification of the model. For example, sampled versus Boltzmann distributions are compared in Figure 1 for CH3 (oblate rotator – two quantum numbers) and examples of thermal relaxation behavior for linear and non-linear rotators are presented in Figure 2. In addition, comparisons of thermophysical properties will be presented, as well as examples of adiabatic relaxation and application to hypersonic flow.

Rarefied Gas Dynamics↗

NASA NTRS1993

Tidal interaction: A possible explanation for geysers and other fluid phenomena in the Neptune-Triton system

Discovery of geyser-like plumes on the surface of Triton was a highlight of Voyager 2's passage through the Neptune planetary system. Remarkable as these observations were, they were not entirely without precedent. Considering the confirmed predictions for the 1979 Voyager Jovian passage, it was logical to consider other solar system bodies beside Io where tidal effects could be a significant factor in surface processes. It was our intuition that the Neptune-Triton gravitational bond acting at high inclination to the Neptune equator and the fact that Neptune was a fluid body was significant oblateness would produce tidal and mechanical forces that could be transformed into thermal energy vented on Triton's surface. Prior to the Voyager flyby, others have noted that capture and evolution of Triton's orbit from extreme eccentricity to near circular state today would have resulted in significant tidal heating, but these analysts disregard current day forces. Our calculations indicate that the time varying forces between Neptune-Triton fall midway between those exerted in the Earth-Moon and Jupiter-Io systems, and considering the low level of other energy inputs, this source of internal energy should not be ignored when seeking an explanation for surface activity. In each planet-satellite case, residual or steady-state eccentricity causes time-varying stresses on internal satellite strata. In the case of Jupiter the residual eccentricity is due largely to Galilean satellite interactions, particularly Io-Europa, but in the case of Neptune-Triton, it is the effect of Triton's inclined orbit about an oblate primary.

Kelly, W. D.↗