Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Melting”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Solid–liquid transition in a skyrmion matter

We report Monte-Carlo studies of the orientational order and melting of a 2D skyrmion lattice containing more than one million spins. Two models have been investigated, a microscopic model of lattice spins with Dzyaloshinskii–Moryia interaction that possesses skyrmions, and the model in which skyrmions are treated as point particles with repulsive interaction derived from a spin model. They produce similar results. The skyrmion lattice exhibits a sharp one-step transition between solid and liquid phases on temperature and the magnetic field. This solid–liquid transition is characterized by the kink in the magnetization. Here, the field-temperature phase diagram is computed. We show that the application of the field gradient to a 2D system of skyrmions produces a solid–liquid interface that must be possible to observe in experiments.

2D melting↗
DOE OSTI2019

Effect of cobalt substitution on structure and magnetic properties of Nd 0.4 Zr 0.6 Fe 10–x Co x Si 2 (x = 0–3) alloys and their ribbons

This paper reports the stabilization of the RFe 12 -type based compounds where part of R and Fe are substituted with Zr and Co and Si, respectively, in order to examine whether these rare-earth-lean materials are suitable for applications as permanent magnets. Structural and magnetic characterization of the family of alloys with the general formula Nd 0.4 Zr 0.6 Fe 10–x Co x Si 2 (x = 0–3) and their melt-spun ribbons were carried out using X-ray diffraction and Mössbauer spectroscopy. The ThMn 12 -type structure is obtained for all samples as the majority phase with a minority α-Fe(CoSi) phase (less than 5 wt%) as it was estimated by XRD for x = 1 and 2. The Curie temperature increases linearly with Co substitution from 561 K for x = 0 to 712 K for x = 3. The saturation magnetization decreases slightly from 130.5 (x = 1) to 129.1 A·m 2 /kg (x = 3), while the anisotropy field is following the same trend.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Microstructural evolution of rapidly solidified hypoeutectic Al 10Cu alloy during non-isothermal annealing transients induced by nano-second laser pulses

The evolution of characteristic nonequilibrium features presenting in morphologically distinct regions of rapid solidification (RS) microstructures in a hypoeutectic Al—10Cu (atomic %) in response to non-isothermal annealing transients has been studied by transmission electron microscopy (TEM). The capabilities of the Movie-Mode Dynamic TEM (MM-DTEM) instrument were used to expose select regions of the RS microstructure to sequences of rapid heating and cooling transients induced by nanosecond laser pulses while permitting in-situ observation. Partial melting, microstructural scale coarsening, morphological changes of the nonequilibrium features in the multi-phase RS microstructure, and solid-state phase transformation were observed. Heterogeneous nucleation of nanoscale θ-Al 2 Cu phase involved metastable supersaturated α-Al and the θ'-Al 2 Cu phases, establishing different sets of orientation relationships for the stable θ-Al 2 Cu and α-Al phases. Replacement of banded morphology grains that formed under conditions driven farthest from equilibrium by an equiaxed nanocrystalline structure comprised of α-Al phase, the primary solidification product, and an intergranular network of Al 2 Cu crystals has been attributed to local remelting. Here the experimental approach explored, permitted discovery of mechanistic details of location-specific transformation pathways activated in the multi-phase RS microstructure of hypoeutectic Al—Cu during subsequent nonisothermal transients.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Relationship between ductility and the porosity of additively manufactured AlSi10Mg

Additive manufacturing via selective laser melting can result in variable levels of internal porosity both between build plates and within components from the same build. In this work, sample porosity levels were compared to tensile properties for 176 samples spanning eight different build plates. Sample porosity was measured both by Archimedes density, which provided an estimation of overall porosity, and by observation of voids in the fracture surface, which provided an estimation of the porosity at the failure plane. The porosity observed at the fracture surface consistently demonstrated higher porosity than that suggested by Archimedes density. The porosity values obtained from both methods were compared against the mechanical results. Sample porosity appears to have some correlation to the ultimate tensile strength, yield strength, and modulus, but the strongest relationship is observed between porosity and ductility. Three different models were used to relate the fracture surface porosity to the ductility. The first method was a simple linear regression analysis, while the other two models have been used to relate porosity to ductility in cast alloys. It is shown that all three models fit the data well over the observed porosity ranges, suggesting that the models taken from casting theory can extend to additively manufactured metals. Finally, it is proposed that the non-destructive Archimedes method could be used to estimate an approximate sample ductility through the use of correlations realized here. Such a relationship could prove useful for design and for a deeper understanding of the impact of pores on tensile behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Tracking of Marangoni driven motion during laser powder bed fusion

Laser Powder Bed Fusion (LPBF) can be used to create Functionally Graded Materials (FGMs) by selectively distributing property augmenting particles throughout the build matrix. With this method parts can be created with nonhomogeneous properties tuned to spatially varied, pre-determined design constraints. To unlock this capability, the fluid motion that occurs in the molten liquid phase must be thoroughly understood. More importantly, the actual tracking of motion during the LPBF process is needed. Further, a numerical model of heat transfer and fluid flow in LPBF process was created. Using results from the model the motion of particles starting at many different locations was tracked. The average change in position for these particles based on starting location was calculated. The effects of non-dimensional parameters on melt pool size were examined. These results were validated experimentally and compared to what is available in the literature.

42 ENGINEERING↗
DOE OSTI2020

Phase transformation in boron under shock compression

Using first-principles molecular dynamics, we calculated the equation of state and shock Hugoniot of various boron phases. Here, we find a large mismatch between Hugoniots based on existing knowledge of the equilibrium phase diagram and those measured by shock experiments, which could be reconciled if the α-B 12 /β phases are significantly over-pressurized in boron under shock compression. Our results also indicate that there exist an anomaly and negative Clapeyron slope along the melting curve of boron at 100 GPa and 1500–3000 K. These results enable an in-depth understanding of matter under shock compression, in particular the significance of compression-rate dependence of phase transitions and kinetic effects in experimental measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Liquid-like solid-state diffusion of lithium ions in super-halide-rich argyrodite

The development of solid electrolytes with high ionic conductivity is essential for advancing safer, high-energy-density solid-state batteries, where lithium site distribution in the sublattice strongly affects ion transport. Here, we report a super-halide-rich argyrodite, Li 5.3 PS 4.3 Cl 1.7 , with remarkable room-temperature ionic conductivity (11.4 ± 0.7 mS cm -1 ) due to population of two additional interstitial lithium sites induced by vacancy redistribution. Prominent lithium density between lithium sites and elevated atomic displacement parameters indicate liquid-like diffusive behavior resembling sublattice melting. Combining electrochemical impedance spectroscopy, pulsed-field gradient NMR, and T 1 relaxation methods, we demonstrate that the augmented conductivity partly arises from a low energy barrier (0.08 eV) at the local scale, attributed to a three-site lithium distribution that drives correlated lithium dynamics. This work advances our understanding of the structure-dynamics interplay in super-halide-rich argyrodites, and highlighting their potential as solid-state battery electrolytes in cells with a coated single-crystal NMC82 cathode that achieve 170 mAh/g capacity at a 0.2 C rate .

25 ENERGY STORAGE↗
DOE OSTI2020

In Situ High-Temperature Synchrotron Diffraction Studies of (Fe,Cr,Al) 3 O 4 Spinels

The modeling of a loss-of-coolant-accident scenario involving nuclear fuels with FeCrAl cladding materials in consideration to replace a Zircaloy requires knowledge of the thermodynamics of oxidized structures. At temperatures higher than 1500 degrees C, oxidation of FeCrAl alloys forms (Fe,Cr,Al) 3 O 4 spinels. In situ high-energy X-ray diffraction in a conical nozzle levitator installed at beamline 6-ID-D of the APS was used to study the structural evolution of the oxides as a function of the temperature. Single-phase (spinel) and multiphase (spinel-corundum-FeAlO 3 ) regions are mapped as a function of the temperature for three different compositions of FeCrAl oxidation products. The thermal expansion coefficients and cation distribution in the spinel structure have been refined. The temperature at which complete melting of the fuel cladding is expected has been determined by the liquidus temperatures of the oxidized products to be between 1657 and 1834 degrees C in a 20% O 2 /Ar atmosphere using the cooling trace method. The liquidus temperature increases with increasing Al and Cr content in the spinel phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Structural changes in liquid lithium under high-pressure

In this paper, we have experimentally studied the effect of compression on the structure of liquid lithium (Li) by multi-angle energy dispersive X-ray diffraction in a large-volume cupped-Drickamer-Toroidal cell. The structure factors, s(q), of liquid Li have been successfully determined under an isothermal compression at 600 ± 30 K and at pressures up to 11.5 GPa. The first peak position in s(q) is found to increase with increasing pressure and showing an obvious slope change starting at ~7.5 GPa. The slope change is interpreted as a structural change from bcc-like to fcc-like local ordering in liquid Li. At pressures above 8.7 GPa, the liquid Li becomes predominantly fcc-like up to the highest pressure of 11.5 GPa in this study. The observed structural changes in liquid Li are consistent with the recently determined melting curve of Li.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Deuteration Effects on the Physical and Optoelectronic Properties of Donor–Acceptor Conjugated Polymers

The significant differences in scattering cross sections between deuterium and protium are unique to neutron scattering techniques and have been a long-standing area of interest within the neutron scattering community. Researchers have explored selective deuteration to manipulate scattering contrast in soft matter systems, leading to the widespread use of deuterium labeling in materials development. As deuteration changes the atomic mass, it alters physical properties such as molecular volume, polarizability, and polarity, which in turn may affect noncovalent interactions and crystal ordering. Despite previous studies, there remains a limited understanding of how deuteration impacts donor–acceptor (DA) conjugated polymers. To address this, we synthesized deuterated DPP polymers and systematically investigated the effects of side-chain deuteration on their thermal stability, crystal packing, morphology, and optoelectronic properties. We found that deuteration increased the melting and crystallization temperatures of DPP polymers, although it did not significantly alter their morphology, molecular packing, or charge mobility. These properties were assessed by using atomic force microscopy (AFM), X-ray scattering, and thin-film transistor device measurements, respectively, for DPP polymers. Our work shows that deuterium labeling could be a powerful method for controlling scattering length density, enabling neutrons to study the structure and dynamics of conjugated polymers without impacting their electronic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Low-Temperature Molten Salt Electrochemical CO 2 Upcycling for Advanced Energy Materials

One strategy for addressing the climate crisis caused by CO 2 emissions is to efficiently convert CO 2 to advanced materials suited for green and clean energy technology applications. Porous carbon is widely used as an advanced energy storage material because of its enhanced energy storage capabilities as an anode. Herein, we report electrochemical CO 2 upcycling to solid carbon with a controlled microstructure and porosity in a ternary molten carbonate melt at 450 °C. Controlling the electrochemical parameters (voltage, temperature, cathode material) enabled the conversion of CO 2 to porous carbon with a tunable morphology and porosity for the first time at such a low temperature. Additionally, a well-controlled morphology and porosity are beneficial for reversible energy storage. In fact, these carbon materials delivered high specific capacity, stable cycling performances, and exceptional rate capability even under extremely fast charging conditions when integrated as an anode in lithium-ion batteries (LIBs). In conclusion, the present approach not only demonstrated efficient upcycling of CO 2 into porous carbon suitable for enhanced energy storage but can also contribute to a clean and green energy technology that can reduce carbon emissions to achieve sustainable energy goals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Relationships Between Precipitation Properties and Large-Scale Conditions During Subsidence at the Eastern North Atlantic Observatory

Three years of reanalysis and ground-based observations collected at the Eastern North Atlantic (ENA) observatory are analyzed to document the properties of rain and boundary layer clouds, and their relationship with the large-scale environment during general subsidence conditions and following cold front passages. Clouds in the wake of cold fronts exhibit on average a 10% higher propensity to precipitate and higher rain-to-cloud fraction than cloud found in general subsidence conditions. Similarities in the seasonal cycle of rain and of large-scale properties suggest that the large-scale conditions created by the cold front passage are responsible for the unique properties of the rain forming in its wake. The identification of monotonic relationships between rain-to-cloud fraction and rain rate with surface forcing and boundary layer stability parameters as well as between virga base height with stability and humidity measures further supports that large-scale conditions impact precipitation variability. Likewise, these relationships between the large-scale and rain properties are less clear than those established between cloud and rain properties suggesting that cloud macrophysics have a more direct impact on the properties of rain than the large-scale environment. The applicability of previously documented relationships between rain properties and cloud thickness is tested and the relationships adjusted to accommodate the complex shallow clouds and melting precipitation observed to occur in the ENA region. Furthermore, establishing these relationships opens up opportunities for parametrization development and suggest that a realistic representation of precipitation properties in models relies on the accurate representation of both clouds and the large-scale environment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

X-ray imaging of liquid-liquid Mg cavitation

The coupling of dynamic loading platforms with synchrotron light sources have enabled experiments examining void formation in optically opaque materials. Much like spallation in a solid, cavitation occurs when rarefaction waves collide within a liquid. The resulting deformation leads to a complex flow field with numerous voids. It has been suggested that compaction of such a structure may be a significant source of ejecta (i.e. shallow bubble collapse). Experiments imaging supported and unsupported shocks interacting with a free surface in shock melted Mg with synchrotron radiation are presented. Here, the results are used to examine the structure of a cavitation plane that forms in the unsupported case and provide an estimate of the porosity within this region.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Vented and sealed cookoff of powdered and pressed ε-CL-20

In this work, we have completed a series of vented and sealed cookoff experiments of the ε-polymorph of CL-20 in our Sandia Instrumented Thermal Ignition (SITI) apparatus using both powder and pressed pellets at nominal densities of 313 ± 8 kg/m 3 and 1030 ± 4 kg/m 3 , respectively. The boundary temperature of our aluminum confinement cylinder was ramped in 10 minutes from room temperature to a prescribed set-point temperature ranging between 448 nd 468 K and held at the set-point temperature until ignition. A universal cookoff model (UCM) has been calibrated using the ε-CL-20 SITI data to predict pressurization and thermal ignition of ε-CL-20. The ignition model was validated by using one-dimensional time-to-explosion (ODTX) ignition data from a different laboratory. We found that a thirtyfold increase in the reaction rates due to liquefaction at 520 K could explain the high temperature ODTX cookoff data. The model gives a plausible explanation of why melting is important in fast cookoff events involving CL-20. Our model also gives support to 520 K as the liquefaction point of CL-20, which has different values in the literature.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Uniqueness of relaxation times determined by dielectric spectroscopy

Dielectric spectroscopy is extremely powerful to study molecular dynamics, because of the very broad frequency range. Often multiple processes superimpose resulting in spectra that expand over several orders of magnitude, with some of the contributions partially hidden. For illustration, we selected two examples, (i) normal mode of high molar mass polymers partially hidden by conductivity and polarization and (ii) contour length fluctuations partially hidden by reptation using the well-studied polyisoprene melts as example. The intuitive approach to describe experimental spectra and to extract relaxation times is the addition of two or more model functions. Here, we use the empirical Havriliak-Negami function to illustrate the ambiguity of the extracted relaxation time, despite an excellent agreement of the fit with experimental data. We show that there are an infinite number of solutions for which a perfect description of experimental data can be achieved. However, a simple mathematical relationship indicates uniqueness of the pairs of the relaxation strength and relaxation time. Sacrificing the absolute value of the relaxation time enables to find the temperature dependence of the parameters with a high accuracy. For the specific cases studied here, the time temperature superposition (TTS) is very useful to confirm the principle. However, the derivation is not based on a specific temperature dependence, hence, independent from the TTS. We compare new and traditional approaches and find the same trend for the temperature dependence. The important advantage of the new technology is the knowledge of the accuracy of the relaxation times. Relaxation times determined from data for which the peak is clearly visible are the same within the experimental accuracy for traditional and new technology. However, for data where a dominant process hides the peak, substantial deviations can be observed. Finally, we conclude that the new approach is particularly helpful for cases in which relaxation times need to be determined without having access to the associated peak position.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The boundary density profile of a Coulomb droplet. Freezing at the edge

In this paper, we revisit the problem of computing the boundary density profile of a droplet of two-dimensional one-component plasma (2D OCP) with logarithmic inter- action between particles in a confining harmonic potential. At a sufficiently low temperature, but still in the liquid phase, the density exhibits oscillations as a function of the distance to the boundary of the droplet. We obtain the density profile numerically using Monte-Carlo simulations of the 2D OCP. We argue that the decay and period of those oscillations can be explained within a picture of the Wigner crystallization near the boundary, where the crystal is gradually melted with the increasing distance to the boundary.

2D OCP↗
DOE OSTI2022

A subpolar-focused stratospheric aerosol injection deployment scenario

Stratospheric aerosol injection (SAI) is a prospective climate intervention technology that would seek to abate climate change by deflecting back into space a small fraction of the incoming solar radiation. While most consideration given to SAI assumes a global intervention, this paper considers an alternative scenario whereby SAI might be deployed only in the subpolar regions. Subpolar deployment would quickly envelope the poles as well and could arrest or reverse ice and permafrost melt at high latitudes. This would yield global benefit by retarding sea level rise. Given that effective SAI deployment could be achieved at much lower altitudes in these regions than would be required in the tropics, it is commonly assumed that subpolar deployment would present fewer aeronautical challenges. An SAI deployment intended to reduce average surface temperatures in both the Arctic and Antarctic regions by 2 °C is deemed here to be feasible at relatively low cost with conventional technologies. However, we do not find that such a deployment could be undertaken with a small fleet of pre-existing aircraft, nor that relegating such a program to these sparsely populated regions would obviate the myriad governance challenges that would confront any such deployment. Nevertheless, given its feasibility and potential global benefit, the prospect of subpolar-focused SAI warrants greater attention.

54 ENVIRONMENTAL SCIENCES↗