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At least 289 records · Page 16

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NASA NTRS1992

Growth from a hypercooled melt near absolute stability

The stability of a solid-liquid interface in a hypercooled melt is studied, taking into account attachment kinetics, surface energy, and surface energy in the heat balance. There is a basic-state solution with the planar interface moving at constant speed. Linear-stability theory gives a long-wave absolute-stability limit. Near this point a string model is introduced in which a thermal-boundary-layer approximation is used and an evolution equation for the interface is obtained. In a limiting case this interface equation reduces to a Kuromoto-Sivashinsky equation. Comparison with experimental and numerical results are discussed, and a conceptual picture of unconstrained growth for all undercoolings is addressed.

Umantsev, A.↗

DOE OSTI2022

Explosive device comprising an explosive material having controlled explosive properties

An explosive device is described herein, wherein the explosive device includes a substrate that has a surface, wherein surface energy of a portion of the surface of the substrate has been modified in a vacuum chamber from a first surface energy to a second surface energy. The explosive device additionally includes explosive material that has been deposited on the surface of the substrate in the vacuum chamber by way of physical vapor deposition (PVD), wherein the explosive material is deposited on the portion of the surface of the substrate subsequent to the surface energy of the portion of the surface of the substrate being modified from the first surface energy to the second surface energy.

Forrest, Eric Christopher↗

DOE OSTI2023

Explosive device comprising an explosive material having controlled explosive properties

Forrest, Eric Christopher↗

NASA NTRS1966

Launching of surface waves on axial-cylindrical reactive surface

Energy transportation by reflected, surface wave, and radiation fields during excitation of dominant transverse magnetic surface wave on axial-cylindrical reactive surface

ELECTROMAGNETIC WAVE↗

DOE OSTI2021

Deforestation reshapes land-surface energy-flux partitioning

Land-use and land-cover change significantly modify local land-surface characteristics and water/energy exchanges, which can lead to atmospheric circulation and regional climate changes. In particular, deforestation accounts for a large portion of global land-use changes, which transforms forests into other land cover types, such as croplands and grazing lands. Many previous efforts have focused on observing and modeling land–atmosphere–water/energy fluxes to investigate land–atmosphere coupling induced by deforestation. However, interpreting land–atmosphere–water/energy-flux responses to deforestation is often complicated by the concurrent impacts from shifts in land-surface properties versus background atmospheric forcings. In this study, we used 29 paired FLUXNET sites, to improve understanding of how deforested land surfaces drive changes in surface-energy-flux partitioning. Each paired sites included an intact forested and non-forested site that had similar background climate. We employed transfer entropy, a method based on information theory, to diagnose directional controls between coupling variables, and identify nonlinear cause–effect relationships. Transfer entropy is a powerful tool to detective causal relationships in nonlinear and asynchronous systems. The paired eddy covariance flux measurements showed consistent and strong information flows from vegetation activity (gross primary productivity (GPP)) and physical climate (e.g. shortwave radiation, air temperature) to evaporative fraction (EF) over both non-forested and forested land surfaces. More importantly, the information transfers from radiation, precipitation, and GPP to EF were significantly reduced at non-forested sites, compared to forested sites. We then applied these observationally constrained metrics as benchmarks to evaluate the Energy Exascale Earth System Model (E3SM) land model (ELM). ELM predicted vegetation controls on EF relatively well, but underpredicted climate factors on EF, indicating model deficiencies in describing the relationships between atmospheric state and surface fluxes. Moreover, changes in controls on surface energy flux partitioning due to deforestation were not detected in the model. We highlight the need for benchmarking model simulated surface-energy fluxes and the corresponding causal relationships against those of observations, to improve our understanding of model predictability on how deforestation reshapes land surface energy fluxes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Observation of negative surface and interface energies of quantum dots

Surface energy is a fundamental property of materials and is particularly important in describing nanomaterials where atoms or molecules at the surface constitute a large fraction of the material. Traditionally, surface energy is considered to be a positive quantity, where atoms or molecules at the surface are less thermodynamically stable than their counterparts in the interior of the material because they have fewer bonds or interactions at the surface. Using calorimetric methods, we show that the surface energy is negative in some prototypical colloidal semiconductor nanocrystals, or quantum dots with organic ligand coatings. This implies that the surface atoms are more thermodynamically stable than those on the interior due to the strong bonds between these atoms and surfactant molecules, or ligands, that coat their surface. In addition, we extend this work to core/shell indium phosphide/zinc sulfide nanocrystals and show that the interfacial energy between these materials is highly thermodynamically favorable in spite of their large lattice mismatch. This work challenges many of the assumptions that have guided thinking about colloidal nanomaterial thermodynamics, investigates the fundamental stability of many technologically relevant colloidal nanomaterials, and paves the way for future experimental and theoretical work on nanocrystal thermodynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Numerical analysis of coalescence-induced bubble departure for enhanced boiling heat transfer

Boiling heat transfer plays a crucial role in a wide range of applications, such as power generation, refrigeration, electronics cooling, and pharmaceutics. Among the various factors that influence boiling heat transfer, the dynamics of vapor bubble nucleation, growth, and departure from the heated surface stand out as particularly important. An emerging phenomenon that can promote the departure of bubbles smaller than the Fritz diameter is coalescence-induced departure. If the dynamics of this process are fully understood, then surfaces can be engineered to promote faster bubble departure and substantially increase the performance of boiling heat transfer. Further, this work expands on published results by presenting a detailed numerical analysis of bubble coalescence and departure for a range of initial bubble diameters and size ratios between coalescing bubbles. Analysis of the results is focused on explaining how the release of surface energy and bubble surface dynamics lead to bubble departure, as well as fundamentally distinguishing capillary–inertial jumping and buoyant–inertial departure mechanisms across different bubble sizes and size ratios. The results show that both the initial sizes of the coalescing bubbles and the ratio between their sizes can determine whether the merged bubble will leave the surface through capillary–inertial jumping or buoyant departure. Below a certain bubble size, the release of surface energy by the merger is not sufficient to propel the merged bubble from the surface.

42 ENGINEERING↗

NASA NTRS2003

Intraseasonal Oscillations over South America: A Study with a Regional Climate Model

The National Center for Atmospheric Research (NCAR) regional climate model version 2 (RegCM2) is used to investigate the observed characteristics of intraseasonal oscillations over South America. Our study is mainly concentrated on an intraseaonal mode, which is observed to account for a large portion of the intraseasonal variation, to have a standing feature and to be independent of the MJO. The NCEPDOE AMIP-II reanalysis is utilized to provide initial and lateral boundary conditions for the RegCM2 based upon the OOZ, 062, 122 and 182 data.Our results indicate that the intraseasonal oscillation still exists with time- averaged lateral boundary condition, which prevents the MJO and other outside disturbances from entering the model's domain, suggesting a locally forced oscillation responsible for ths intraseasonal mode independent of the MJO. Further experiments show that the annual and daily variabilities and a radiative-convective interaction are not essential to the locally forced intraseasonal oscillation. The intraseasonal oscillations over Amazon in our model essentially result from interactions among atmospheric continental- scale circulation, surface radiation, surface sensible and latent heat fluxes, and cumulus convection. The wavelet analyses of various surface energy fluxes and surface energy budget also verify that the primary cause of intraseasonal oscillation is the interaction of land surface processes with the atmosphere.

Chen, Baode↗

DOE OSTI2020

Primary fission fragment mass yields across the chart of nuclides

In this work, we have calculated a complete set of primary fission fragment mass yields, Y(A), for heavy nuclei across the chart of nuclides, including those of particular relevance to the rapid neutron capture process (r process) of nucleosynthesis. We assume that the nuclear shape dynamics are strongly damped, which allows for a description of the fission process via Brownian shape motion across nuclear potential-energy surfaces. The macroscopic energy of the potential was obtained with the Finite-Range Liquid-Drop Model (FRLDM), while the microscopic terms were extracted from the single-particle level spectra in the fissioning system by the Strutinsky procedure for the shell energies and the BCS treatment for the pairing energies. For each nucleus considered, the fission fragment mass yield, Y(A), is obtained from 50 000 to 500 000 random walks on the appropriate potential-energy surface. The full mass and charge yield, Y(Z,A), is then calculated by invoking the Wahl systematics. With this method, we have calculated a comprehensive set of fission-fragment yields from over 3800 nuclides bounded by 80 ≤ Z ≤ 130 and A ≤ 330; these yields are provided as an ASCII formatted database in the Supplemental Material. We compare our yields to known data and discuss general trends that emerge in low-energy fission yields across the chart of nuclides.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

A renewable lignin-based thermoplastic adhesive for steel joining

Adhesive bonding of metals has become increasingly relevant in recent years due to the demand for reducing weight and improving performance in structural applications such as automobiles and aerospace. We developed renewable thermoplastic adhesives from technical organosolv lignin isolated from hardwood biomass and acrylonitrile butadiene co-polymer rubber (NBR) for joining steel substrates. NBR33, NBR41 and NBR51 with acrylonitrile molar ratios of 33, 41 and 51%, respectively, were blended with lignin to form two-phase thermoplastic adhesives, and their adhesion, viscoelastic and surface properties were measured. Lignin content in the compositions were varied, ranging from 40% to 80% (w/w), to alter toughness, stiffness, and surface energy characteristics of the material. Better interaction or reactivity between the lignin and NBR phases was observed with greater nitrile content in NBR, leading to greater modulus and stiffness of the adhesive. Simultaneously, increasing the proportion of lignin reduced toughness and improved stiffness, with the highest adhesive strength of 13.1 MPa measured in a 60% lignin loading ratio with NBR51. Surface energy measurements revealed that total surface energy (sum of polar and dispersive surface energy) raised with lignin loading, suggesting that both surface energy and matrix strength play a critical role in the adhesive properties of the synthesized materials. A finite element-based cohesive zone model (CZM) was developed and implemented to study the failure strength of the adhesively bonded joint. Here, this study demonstrates the viability of lignin as a valuable building block for adhesives, not only due to its inherent chemical structure and rigidity, but also for its surface energy characteristics.

36 MATERIALS SCIENCE↗

DOE OSTI2020

First-principles study of the surface properties of uranium carbides

Uranium carbides have attracted renewed interest as advanced nuclear fuels for Generation IV reactors. As an important property required for gas bubble modeling in nuclear fuels, the surface energy of uranium carbides is scarce in literature. In this work, we study the surface properties of uranium carbides by first-principles density functional theory calculations. Surface orientations with maximum Miller index up to 3, 2 and 2 are investigated for UC, U 2 C 3 and α-UC 2 , respectively. By studying the effects of surface termination and chemical potential on surface energy, we identify the factors that determines the surface stability. From the calculated surface energies, the surface properties of uranium carbide single crystals are obtained from Wulff construction, including equilibrium morphology, dominant surface orientation and area weighted surface energy.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Proper orthogonal descriptors for efficient and accurate interatomic potentials

Here, we present the proper orthogonal descriptors for efficient and accuracy representation of the potential energy surface. The potential energy surface is represented as a many-body expansion of parametrized potentials in which the potentials are functions of atom positions and parameters. The proper orthogonal decomposition is employed to decompose the parametrized potentials into a set of proper orthogonal descriptors (PODs). Because of the rapid convergence of the proper orthogonal decomposition, relevant snapshots can be sampled exhaustively to represent the atomic neighborhood environment accurately with a small number of descriptors. The proper orthogonal descriptors are used to develop interatomic potentials by using a linear expansion of the descriptors and determining the expansion coefficients from a weighted least-squares regression against a density functional theory (DFT) training set. We present a comprehensive evaluation of the POD potentials on previously published DFT data sets comprising Li, Mo, Cu, Ni, Si, Ge, and Ta elements. The data sets represent a diverse pool of metals, transition metals, and semiconductors. The accuracy of the POD potentials are comparable to that of state-of-the-art machine learning potentials such as the spectral neighbor analysis potential (SNAP) and the atomic cluster expansion (ACE).

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1986

Composition and stability of the condensate observed at the Viking Lander 2 site on Mars

Surface energy balance and near-surface temperature data from the Viking Lander 2 site taken during the first winter that condensated were observed and analyzed to determine the relative stability of CO2 and H2O frosts. The CO2 frost stability is calculated with an equilibrium surface energy balance model, i.e., the total energy incident on a frost surface is compared with the blackbody energy emitted by the surface. The energy sources considered were IR emission from the atmosphere, sunlight, and the sensible heat flux from the atmosphere. H2O stability was examined as a function of buoyant diffusion and turbulent mixing processes which could remove saturated near-surface gases. The CO2 frost is found to be sufficiently unstable at the time the condensate was observed on the ground, so all CO2 ice deposited at night would boil away in a few hours of sunlight. CO2 ice would not form during a dust storm. Water frost would be stable during the condensate observations, since sublimation would occur at a rate below 1 micron/day. A stable winter thickness of 10 microns is projected for the water ice.

Hart, H. M.↗

NASA NTRS2018

Sedimentation Efficiency of Condensation Clouds in Substellar Atmospheres

Condensation clouds in substellar atmospheres have been widely inferred from spectra and photometric variability. Up until now, their horizontally averaged vertical distribution and mean particle size have been largely characterized using models, one of which is the eddy diffusion-sedimentation model from Ackerman and Marley that relies on a sedimentation efficiency parameter, f(sub sed), to determine the vertical extent of clouds in the atmosphere. However, the physical processes controlling the vertical structure of clouds in substellar atmospheres are not well understood. In this work, we derive trends in f(sub sed) across a large range of eddy diffusivities (K (sub zz) ), gravities, material properties, and cloud formation pathways by fitting cloud distributions calculated by a more detailed cloud microphysics model. We find that f(sub sed) is dependent on K (sub zz), but not gravity, when K (sub zz) is held constant. f(sub sed) is most sensitive to the nucleation rate of cloud particles, as determined by material properties like surface energy and molecular weight. High surface energy materials form fewer, larger cloud particles, leading to large f(sub sed) (>1), and vice versa for materials with low surface energy. For cloud formation via heterogeneous nucleation, f(sub sed) is sensitive to the condensation nuclei flux and radius, connecting cloud formation in substellar atmospheres to the objects' formation environments and other atmospheric aerosols. These insights could lead to improved cloud models that help us better understand substellar atmospheres. For example, we demonstrate that f(sub sed) could increase with increasing cloud base depth in an atmosphere, shedding light on the nature of the brown dwarf L/T transition.

brown dwarfs; planets and satellites: atmospheres↗

NASA NTRS1989

Adhesion in ceramics and magnetic media

When a ceramic is brought into contact with a metal or a polymeric material such as a magnetic medium, strong bonds form between the materials. For ceramic-to-metal contacts, adhesion and friction are strongly dependent on the ductility of the metals. Hardness of metals plays a much more important role in adhesion and friction than does the surface energy of metals. Adhesion, friction, surface energy, and hardness of a metal are all related to its Young's modulus and shear modulus, which have a marked dependence on the electron configuration of the metal. An increase in shear modulus results in a decrease in area of contact that is greater than the corresponding increase in surface energy (the fond energy) with shear modulus. Consequently, the adhesion and friction decrease with increasing shear modulus. For ceramics in contact with polymeric magnetic tapes, environment is extremely important. For example, a nitrogen environment reduces adhesion and friction when ferrite contacts polymeric tape, whereas a vacuum environment strengthens the ferrite-to-tape adhesion and increases friction. Adhesion and friction are strongly dependent on the particle loading of the tape. An increase in magnetic particle concentration increases the complex modulus of the tape, and a lower real area of contact and lower friction result.

Miyoshi, Kazuhisa↗

NASA NTRS1998

A Technique for Assimilating GOES-Derived Land Surface Products into Regional Models to Improve the Representation of Land Surface Forcing

As the parameterizations of surface energy budgets in regional models have become more complete physically, models have the potential to be much more realistic in simulations of coupling between surface radiation, hydrology, and surface energy transfer. Realizing the importance of properly specifying the surface energy budget, many institutions are using land-surface models to represent the lower boundary forcing associated with biophysical processes and soil hydrology. However, the added degrees of freedom due to inclusion of such land-surface schemes require the specification of additional parameters within the model system such as vegetative resistances, green vegetation fraction, leaf area index, soil physical and hydraulic characteristics, stream flow, runoff, and the vertical distribution of soil moisture. A technique has been developed for assimilating GOES-IR skin temperature tendencies into the surface energy budget equation of a mesoscale model so that the simulated rate of temperature change closely agrees with the satellite observations. A critical assumption of the technique is that the availability of moisture (either from the soil or vegetation) is the least known term in the model's surface energy budget. Therefore, the simulated latent heat flux, which is a function of surface moisture availability, is adjusted based upon differences between the modeled and satellite-observed skin temperature tendencies. An advantage of this technique is that satellite temperature tendencies are assimilated in an energetically consistent manner that avoids energy imbalances and surface stability problems that arise from direct assimilation of surface shelter temperatures. The fact that the rate of change of the satellite skin temperature is used rather than the absolute temperature means that sensor calibration is not as critical. An advantage of this technique for short-range forecasts is that it does not require a complex land-surface formulation within the atmospheric model. As a result, the need to specify poorly known soil and vegetative characteristics is eliminated. The GOES assimilation technique has been incorporated into the PSU/NCAR MM5. Results will be presented to demonstrate the ability of the assimilation scheme to improve short-term simulations of near-surface air temperature and mixing ratio during the warm season for several selected cases during June of 1995 and June 1997 which exhibit a variety of atmospheric and land-surface conditions. In addition, the simulations produced by the assimilation technique will be compared with those produced by the MM5/BATS coupled model initialized with soil water content derived from a soil hydrology model.

Lapenta, William M.↗

DOE OSTI2020

Extreme Antiscaling Performance of Slippery Omniphobic Covalently Attached Liquids

Scale formation presents an enormous cost to the global economy. Classical nucleation theory dictates that to reduce the heterogeneous nucleation of scale, the surface should have low surface energy and be as smooth as possible. Past approaches have focused on lowering surface energy via the use of hydrophobic coatings and have created atomically smooth interfaces to eliminate nucleation sites, or both, via the infusion of low-surface-energy lubricants into rough superhydrophobic substrates. Although lubricant-based surfaces are promising candidates for antiscaling, lubricant drainage inhibits their utilization. Here, we develop methodologies to deposit slippery omniphobic covalently attached liquids (SOCAL) on arbitrary substrates. Similar to lubricant-based surfaces, SOCAL has ultralow roughness and surface energy, enabling low nucleation rates and eliminating the need to replenish the lubricant. To enable SOCAL coating on metals, we investigated the surface chemistry required to ensure high-quality functionalization as measured by ultralow contact angle hysteresis (<3°). Using a multilayer deposition approach, we first electrophoretically deposit (EPD) silicon dioxide (SiO 2 ) as an intermediate layer between the metallic substrate and SOCAL. The necessity of EPD SiO 2 is to smooth (<10 nm roughness) as well as to enable the proper surface chemistry for SOCAL bonding. To characterize antiscaling performance, we utilized calcium sulfate (CaSO 4 ) scale tests, showing a 20× reduction in scale deposition rate than untreated metallic substrates. Descaling tests revealed that SOCAL dramatically decreases scale adhesion, resulting in rapid removal of scale buildup. Furthermore, our work not only demonstrates a robust methodology for depositing antiscaling SOCAL coatings on metals but also develops design guidelines for the creation of antifouling coatings for alternate applications such as biofouling and high-temperature coking.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1999

Real-Time Assimilation of Goes-Derived Products into A Mesoscale Model and It's Impact on Short-Term (06-36hr) Forecasts from 17 October 1998 through the Present

As the parameterizations of surface energy budgets in regional models have become more complete physically, models have the potential to be much more realistic in simulations of coupling between surface radiation, hydrology, and surface energy transfer. Realizing the importance of properly specifying the surface energy budget, many institutions are using land-surface models to represent the lower boundary forcing associated with biophysical processes and soil hydrology. However, the added degrees of freedom due to inclusion of such land-surface schemes require the specification of additional parameters within the model system such as vegetative resistances, green vegetation fraction, leaf area index, soil physical and hydraulic characteristics, stream flow, runoff, and the vertical distribution of soil moisture. Spatial heterogeneity of these parameters makes correct specification problematic since measurements are not routinely available. A technique has been developed for assimilating GOES-IR skin temperature tendencies, solar insolation, and surface albedo into the surface energy budget equation of a mesoscale model so that the simulated rate of temperature change closely agrees with the satellite observations. The technique has been successfully employed in a number of mesoscale models in case-study mode. We have taken the next step and developed a study to determine if assimilating these types of data into mesoscale models in real-time can improve short-term (648h) forecasts of temperature, relative humidity, and QPF on a daily basis over relatively large regions. Therefore, an operational modeling/assimilation system has been developed at the GHCC during the past summer that allows us to produce simulations out to 48 hours in a timely manor. The PSU/NCAR MM5 is used in a nested configuration with a 25 km grid covering the southeastern third of the US. The model has been on-line since 1 July 1998 and forecast products are posted on our web site. The satellite algorithms that generate data to be assimilated came on-line 17 October 1998. Quantitative assessment of the forecast quality is performed via traditional verification statistics. In addition, invaluable qualitative information is obtained through close collaboration with several NWSFO's who are using the MM5 products in real-time on a daily basis. The assimilation technique has been applied in an off-line mode since 17 October. Results based on bulk statistical verification of surface meteorology over the entire Southeastern US show that assimilating the GOES-derived land surface tendencies and solar radiation results in a significant reduction of the shelter air temperature and RH bias on a daily basis. In fact, the assimilation technique has produced improved temperature and RH forecasts for 97% of the 100 simulations performed to date. Work is currently underway to determine the sensitivity of the assimilation procedure to the availability of satellite data, length of assimilation period, model initialization, and synoptic-scale meteorological conditions. In addition, results from a detailed energy budget analysis using the Early Eta, our operational MM5, and the assimilation runs will help us to better understand the satellite assimilation the land-surface energy budge. Research during the spring-summer of 1999 will focus on the impact of the assimilation technique during the warm season where it is hypothesized that it can have a positive impact on QPF during conditions of weak synoptic-scale forcing.

Lapenta, William M.↗