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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.

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At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Mechanism of Stoichiometrically Governed Titanium Oxide Brownian Tree Formation on Stepped Au(111)

Previously observed formation of substoichiometric titanium oxide dendritic structures across terraces of Au(111) is computationally studied and shown to follow the classical fractal formation mechanism of diffusion-limited aggregation (DLA). Globally optimized gas-phase oxide cluster structures are sampled in a variety of landing formations on gold surfaces and shown to favor isomers driving polymerization to Brownian tree fractal structures. Mobility of Ti 3 O 5 monomers is shown to be extremely high, with diffusion barriers of 0.21 eV or less. Through bonding stabilization, polymerization of these monomers is energetically favorable and irreversible on the 111 terrace but geometrically impossible to propagate along the step edge. Simulated scanning tunneling microscopy (STM) images show strong similarity to experiment. By contrast, observation of Ti 3 O 6 aggregating as wires along step edges is explained by the affinity of oxygen to step edges and statistical arguments for aggregation entropy at the step, in addition to low barriers for monomer diffusion and polymerization.

36 MATERIALS SCIENCE↗
DOE OSTI2015

FCRD Transmutation Fuels Handbook 2015

Transmutation of minor actinides such as Np, Am, and Cm in spent nuclear fuel is of international interest because of its potential for reducing the long-term health and safety hazards caused by the radioactivity of the spent fuel. One important approach to transmutation (currently being pursued by the DOE Fuel Cycle Research & Development Advanced Fuels Campaign) involves incorporating the minor actinides into U-Pu-Zr alloys, which can be used as fuel in fast reactors. It is, therefore, important to understand the properties of U-Pu-Zr alloys, both with and without minor actinide additions. In addition to requiring extensive safety precautions, alloys containing U and Pu are difficult to study for numerous reasons, including their complex phase transformations, characteristically sluggish phase-transformation kinetics, tendency to produce experimental results that vary depending on the histories of individual samples, and sensitivity to contaminants such as oxygen in concentrations below a hundred parts per million. Many of the experimental measurements were made before 1980, and the level of documentation for experimental methods and results varies widely. It is, therefore, not surprising that little is known with certainty about U-Pu-Zr alloys, and that general acceptance of results sometimes indicates that there is only a single measurement for a particular property. This handbook summarizes currently available information about U, Pu, Zr, and alloys of two or three of these elements. It contains information about phase diagrams and related information (including phases and phase transformations); heat capacity, entropy, and enthalpy; thermal expansion; and thermal conductivity and diffusivity. In addition to presenting information about materials properties, it attempts to provide information about how well the property is known and how much variation exists between measurements. Although the handbook includes some references to publications about modeling, its primary focus is experimental data. Most of the data has been published elsewhere (although scattered throughout numerous references, some quite obscure); however, some data is presented here for the first time.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2022

Mars Terrain Segmentation with Less Labels

Planetary rover systems need to perform terrain segmentation to identify drivable areas as well as identify specific types of soil for sample collection. The latest Martian terrain segmentation methods rely on supervised learning which is very data hungry and difficult to train where only a small number of labeled samples are available. Moreover, the semantic classes are defined differently for different applications (e.g., rover traversal vs. geological) and as a result the network has to be trained from scratch each time, which is an inefficient use of resources. This research proposes a semi-supervised learning framework for Mars terrain segmentation where a deep segmentation network trained in an unsupervised manner on unlabeled images is transferred to the task of terrain segmentation trained on few labeled images. The network incorporates a backbone module which is trained using a contrastive loss function and an output atrous convolution module which is trained using a pixel-wise cross-entropy loss function. Evaluation results using the metric of segmentation accuracy show that the proposed method with contrastive pre-training outperforms plain supervised learning by 2%-10%. Moreover, the proposed model is able to achieve a segmentation accuracy of 91.1% using only 161 training images (1% of the original dataset) compared to 81.9% with plain supervised learning.

Wilson, Brian D↗
DOE OSTI2016

A New CE TSUNAMI-3D Capability for Calculating Undersampling Metrics and Biases

This study investigates the viability of several statistical metrics for predicting the undersampling biases in continuous-energy (CE) Monte Carlo transport simulation tally estimates. Undersampling is a phenomenon in which a Monte Carlo simulation fails to use enough particles per generation to adequately sample fission points in all regions of a problem, resulting in biases in tally estimates that are much larger than the statistical uncertainties, potentially leading to erroneous conclusions regarding system performance and safety. Previous work found that biases due to undersampling could be as large as several hundred per cent mille (pcm) for eigenvalue estimates and up to tens or hundreds of percent for flux tally estimates. This paper documents the encapsulation of undersampling metrics within CE TSUNAMI-3D in the SCALE code system and examines the correlation between the various undersampling metric scores and the magnitude of various undersampling biases. Of the metrics examined, the RHW metric, the Tally Entropy metric, and the uncertainty in the scores for these metrics produce scores that correlated well with the fraction of the undersampling biases in various eigenvalue, flux, and energy-integrated reaction rate tallies in an infinitely reflected model of a PWR fuel assembly. The average number of nonzero scores per generation encountered by a tally was also found to show promise at predicting the magnitude of undersampling biases, and it also found use in detecting and filtering extremely undersampled tallies in the application of the other metrics. Future work will strengthen these conclusions by improving the degree of convergence for the examined tally and undersampling bias estimates, apply these metrics to a more broad variety of systems, and investigate variance reduction approaches for mitigating undersampling in Monte Carlo tally estimates. (authors)

42 ENGINEERING↗
DOE OSTI2018

Effects of non-hydrostaticity and grain size on the pressure-induced phase transition of the CoCrFeMnNi high-entropy alloy

Recently, an irreversible polymorphic transition from face-centered cubic to hexagonal close-packing was surprisingly observed under high pressure in the prototype CoCrFeMnNi high-entropy alloys (HEAs) by various research groups. This unexpected phase transition brings new insights into the stability of HEAs, and its irreversibility stimulates exploration for new HEAs via high-pressure compression synthesis. However, the onset pressure for the phase transition was reported to fluctuate over a vast range from ~7 to above 49 GPa in the reported experiments. The reason for this inconsistency remains unclear and puzzles the HEA community. To address this problem, this work systematically investigates the effects of non-hydrostaticity and grain size. Our results demonstrate that larger deviatoric stress induced by the non-hydrostaticity of the pressure medium and larger grain size of the initial sample can both promote a phase transition and, therefore, considerably depress the onset pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Heat capacity and thermodynamic functions of transition metal ion (Cu 2+ , Fe 2+ , Mn 2+ ) exchanged, partially dehydrated zeolite $\mathrm{A}$ ($\mathrm{LTA}$)

Here we have measured the heat capacity from 1.8 to 300 K of partially dehydrated zeolite A (LTA), fully exchanged with Cu 2+ , Fe 2+ , and Mn 2+ ions. The samples have a broad excess heat capacity contribution centered around 4 K, which we attribute to local electric fields splitting the magnetic moments of the cations. The excess heat capacity is modelled using a sum of several Schottky anomalies. From these models, we conclude that the cations in the Cu 2+ zeolite reside in at least four distinct coordination environments, and that some of the coordination environments in all three zeolites are highly asymmetric. We also report theoretical fits of the heat capacity data, and values of the standard thermodynamic functions C P,m , Δ 0K T S m ° , Δ 0K T H m ° , and Φ m ° at smooth temperatures. The standard molar entropies at 298.15 K are 71.8 J·K -1 ·mol -1 for Cu-zeolite A (Cu 0.22 Al 0.49 Si 0.51 O 2 1.04 H 2 O), 71.1 J·K -1 ·mol -1 for Fe-zeolite A (Na 0.01 Fe 0.23 Al 0.50 Si 0.51 O 2 ∙0.77 H 2 O), and 66.0 J·K -1 ·mol -1 for Mn-zeolite A (Mn 0.26 Al 0.49 Si 0.50 O 2 ∙0.53 H 2 O).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

SLOSHING OF THE MAGNETIZED COOL GAS IN THE CORES OF GALAXY CLUSTERS

X-ray observations of many clusters of galaxies reveal the presence of edges in surface brightness and temperature, known as 'cold fronts'. In relaxed clusters with cool cores, these edges have been interpreted as evidence for the 'sloshing' of the core gas in the cluster's gravitational potential. The smoothness of these edges has been interpreted as evidence for the stabilizing effect of magnetic fields 'draped' around the front surfaces. To check this hypothesis, we perform high-resolution magnetohydrodynamics simulations of magnetized gas sloshing in galaxy clusters initiated by encounters with subclusters. We go beyond previous works on the simulation of cold fronts in a magnetized intracluster medium by simulating their formation in realistic, idealized mergers with high resolution ({Delta}x {approx} 2 kpc). Our simulations sample a parameter space of plausible initial magnetic field strengths and field configurations. In the simulations, we observe strong velocity shears associated with the cold fronts amplifying the magnetic field along the cold front surfaces, increasing the magnetic field strength in these layers by up to an order of magnitude, and boosting the magnetic pressure up to near-equipartition with thermal pressure in some cases. In these layers, the magnetic field becomes strong enough to stabilize the cold fronts against Kelvin-Helmholtz instabilities, resulting in sharp, smooth fronts as those seen in observations of real clusters. These magnetic fields also result in strong suppression of mixing of high- and low-entropy gases in the cluster, seen in our simulations of mergers in the absence of a magnetic field. As a result, the heating of the core due to sloshing is very modest and is unable to stave off a cooling catastrophe.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2011

Sloshing of the Magnetized Cool Gas in the Cores of Galaxy Clusters

X-ray observations of many clusters of galaxies reveal the presence of edges in surface brightness and temperature, known as "cold fronts". In relaxed clusters with cool cores, these edges have been interpreted as evidence for the "sloshing" of the core gas in the cluster's gravitational potential. The smoothness of these edges has been interpreted as evidence for the stabilizing effect of magnetic fields "draped" around the front surfaces. To check this hypothesis, we perform high-resolution magnetohydrodynamics simulations of magnetized gas sloshing in galaxy clusters initiated by encounters with subclusters. We go beyond previous works on the simulation of cold fronts in a magnetized intracluster medium by simulating their formation in realistic, idealized mergers with high resolution ((Delta)x approx. 2 kpc). Our simulations sample a parameter space of plausible initial magnetic field strengths and field configurations. In the simulations, we observe strong velocity shears associated with the cold fronts amplifying the magnetic field along the cold front surfaces, increasing the magnetic field strength in these layers by up to an order of magnitude, and boosting the magnetic pressure up to near-equipartition with thermal pressure in some cases. In these layers, the magnetic field becomes strong enough to stabilize the cold fronts against Kelvin-Helmholtz instabilities, resulting in sharp, smooth fronts as those seen in observations of real clusters. These magnetic fields also result in strong suppression of mixing of high and low-entropy gas in the cluster, seen in our simulations of mergers in the absence of a magnetic field. As a result, the heating of the core due to sloshing is very modest and is unable to stave off a cooling catastrophe.

ZuHone, J. A.↗
DOE OSTI2023

Thermodynamic Basis for the Stabilization of Helical Peptoids by Chiral Sidechains

Peptoids are a class of highly customizable biomimetic foldamers that retain properties from both proteins and polymers. It has been shown that peptoids can adopt peptide-like secondary structures through the careful selection of sidechain chemistries, but the underlying conformational landscapes that drive these assemblies at the molecular level remain poorly understood. Given the high flexibility of the peptoid backbone, it is essential that methods applied to study peptoid secondary structure formation possess the requisite sensitivity to discriminate between structurally similar yet energetically distinct microstates. In this work, a generalizable simulation scheme is used to robustly sample the complex folding landscape of various 12mer polypeptoids, resulting in a predictive model that links sidechain chemistry with preferential assembly into one of 12 accessible backbone motifs. Using a variant of the metadynamics sampling method, four peptoid dodecamers are simulated in water: sarcosine, N-(1-phenylmethyl)glycine (Npm), (S)-N-(1-phenylethyl)glycine (Nspe), and (R)-N-(1-phenylethyl)glycine (Nrpe)–to determine the underlying entropic and energetic impacts of hydrophobic and chiral peptoid sidechains on secondary structure formation. Our results indicate that the driving forces to assemble Nrpe and Nspe sequences into polyproline type-I helices in water are found to be enthalpically driven, with small benefits from an entropic gain for isomerization and steric strain due to the presence of the chiral center. The minor entropic gains from bulky chiral sidechains in Nrpe- and Nspe-containing peptoids can be explained through increased configurational entropy in the cis state. However, overall assembly into a helix is found to be overall entropically unfavorable. Furthermore, these results highlight the importance of considering the many various competing interactions in the rational design of peptoid secondary structure building blocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Effect of Fe Substitution on the Physical Properties of La{sub 0.62}Er{sub 0.05}Ba{sub 0.33}Mn{sub 1−x}Fe{sub x}O{sub 3}(x = 0.00, 0.05 and 0.15)

Morphology, magnetic and magnetocaloric properties of La{sub 0.62}Er{sub 0.05}Ba{sub 0.33}Mn{sub 1−x}Fe{sub x}O{sub 3}(x = 0.00, 0.05 and 0.15) were experimentally investigated. Solid-state reaction method was used in the preparation of the samples. The microstructure of the samples was determined by scanning electron microscopy (SEM). From the XRD study, it has been found that all samples are single-phased and crystallized in the rhombohedral structure with the R3-c space group. For x = 0.05 and 0.15, a steep drop of zero field-cooled (ZFC) magnetization at low temperature signifies the formation of cluster- or spin-glass state. This is caused by the competition between the ferromagnetic and antiferromagnetic interaction. A sensitive response to substituting Fe for Mn is observed in the magnetic and magnetocaloric properties. We found that Fe doping is powerful enough to reduce Curie temperature T{sub C} and it brings about cluster glass behaviours. The magnetocaloric effect is calculated from the measurement of initial isothermal magnetization versus magnetic field at various temperatures. The maximum entropy change |ΔS{sub M}{sup max}| reaches the highest values of 3.31, 3.12, and 2.57 J/kg K in magnetic field. However, the relative cooling power decreases with Fe content from x = 227.44 to 188.68 J/kg for x = 0.00 to x = 0.15 compositions, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Trajectory Ensemble Methods Provide Single-Molecule Statistics for Quantum Dynamical Systems

The emergence of experiments capable of probing quantum dynamics at the single-molecule level requires the development of new theoretical tools capable of simulating and analyzing these dynamics beyond an ensemble-averaged description. In this article, we present an efficient method for sampling and simulating the dynamics of the individual quantum systems that make up an ensemble and apply it to study the nonequilibrium dynamics of the ubiquitous spin-boson model. We generate an ensemble of single-system trajectories, and we analyze this trajectory ensemble using tools from classical statistical mechanics. Our results demonstrate that the dynamics of quantum coherence is highly heterogeneous at the single-system level due to variations in the initial bath configuration, which significantly affects the transient exchange of coherence between the system and its bath. Here, we observe that single systems tend to retain coherence over time scales longer than that of the ensemble. We also compute a novel thermodynamic entanglement entropy that quantifies a thermodynamic driving force favoring system–bath entanglement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2001

Determining Biosignatures by Complexity Analysis in Antarctic Cryptoendolithic Communities

One of the most difficult problems of life detection is that of identifying biosignatures across a wide range of scales using multiple co-registered probes. The technique should be of equal utility across a wide range of search spaces from remote sensors probing volumes of space or planetary surfaces, visual eye or camera searches across the surface of a rock in Antarctica, low resolution microscopic scanning of a rock or a space craft in situ, or high resolution electron microscope and computerized tomography scanning of geobiological samples. We describe here an approach to this problem which derives in large part from past work done in the area of astrophysics - namely the analysis of complexity in galactic signals by data compression methods. This approach is a radically new one for geobiology and astrobiology, and allows us to assess the complexity (and thus potential biogenicity) of an object being examined. This is done by considering the information within pixels of an image (regardless the sensor used to gather the information) as an energetic system capable of description in terms of classical thermodynamics. The image data space is searched by an algorithm that judges complexity via data compression (e.g., the more compressible it is, the less complex, and vice versa) and maximum entropy as originally outlined by Shannon. At present we are implementing methods to utilize images from multiple sensors gathering different kinds of information (e.g., visible gray-scale data, color analyses, UV fluorescence, chemical information, etc). We present here preliminary data from deep UV fluorescence and ESEM (Environmental Scanning Electron Microscope) images from a layered cryptoendolithic community of an Antarctic rock.

Storrie-Lombardi, M. C.↗
DOE OSTI2026

Extended Rice–Thomson analysis and atomistic simulations revealing grain boundary effects on fracture in refractory high-entropy alloys

Significance This work serves to extend the fundamental ductile vs. brittle fracture theory, specifically the Rice–Thomson criterion, by introducing a grain boundary ahead of an initiating crack which propagates at an oblique angle to impinge the boundary. Atomistic fracture simulations on two refractory complex concentrated alloys, the brittle NbMoTaW and the ductile Nb 45 Ta 25 Ti 15 Hf 15 , demonstrate qualitative correspondence with the extended Rice–Thomson criterion and experimental observations. Abstract Understanding how grain boundaries mediate fracture remains a critical challenge in designing ductile, high-performance refractory alloys. Here, we extend the Rice–Thomson criterion to account for the angle between cracks and the impinging grain boundaries (GBs), capturing the competition between intergranular fracture and dislocation-mediated plasticity. Using machine learning interatomic potentials, we performed molecular statics simulations to probe fracture mechanisms in nanocrystalline NbMoTaW and Nb 45 Ta 25 Ti 15 Hf 15 , each with two different grain sizes, revealing trends consistent with experimental observations and the extended Rice model. Comparison with averaged R-curves for bulk samples demonstrates that GBs enhance ductility in Nb 45 Ta 25 Ti 15 Hf 15 in both grain sizes investigated. In contrast, GBs only locally improve fracture resistance in NbMoTaW when cracks are temporarily pinned at GBs inclined at high angles from the crack, but generally promote brittle intergranular fracture. These contrasting behaviors are attributed to differences in GB cohesion, reflecting clear alloying trends that align with ab-initio calculations and trends observed experimentally. Our results bridge classical fracture theory, atomistic simulations, and experimental observations, providing a comprehensive understanding of the fracture mechanisms in nanocrystalline refractory complex concentrated alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Segregation at the surfaces of CuxPd1-x alloys in the presence of adsorbed S

The influence of adsorbed S on surface segregation in Cu{sub x}Pd{sub 1 - x} alloys (S/Cu{sub x}Pd{sub 1 - x)} was characterized over a wide range of bulk alloy compositions (x = 0.05 to 0.95) using high-throughput Composition Spread Alloy Film (CSAF) sample libraries. Top-surface and near-surface compositions of the CSAFs were measured as functions of bulk Cu composition, x, and temperature using spatially resolved low energy ion scattering spectroscopy (LEISS) and X-ray photoemission spectroscopy (XPS). Preferential segregation of Cu to the top-surface of the S/Cu{sub x}Pd{sub 1 - x} CSAF was observed at all bulk compositions, x, but the extent of Cu segregation to the S/Cu{sub x}Pd{sub 1 - x} surface was lower than the Cu segregation to the surface of a clean Cu{sub x}Pd{sub 1 - x} CSAF, clear evidence of an S-induced “segregation reversal.” The Langmuir–McLean formulation of the Gibbs isotherm was used to estimate the enthalpy and entropy of Cu segregation to the top-surface, ΔH{sub seg}(x) and ΔS{sub seg}(x), at saturation sulfur coverages. While Cu segregation to the top-surface of the clean Cu{sub x}Pd{sub 1 - x} is exothermic (ΔH{sub seg} < 0) for all bulk Cu compositions, it is endothermic (ΔH{sub seg} > 0) for S/Cu{sub x}Pd{sub 1 - x}. Segregation to the S/Cu{sub x}Pd{sub 1 - x} surface is driven by entropy. Changes in segregation patterns that occur upon adsorption of S onto Cu{sub x}Pd{sub 1 - x} appear to be related to formation of energetically favored Pd{single bond}S bonds at the surface, which counterbalance the enthalpic driving forces for Cu segregation to the clean surface.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Tailoring planar slip to achieve pure metal-like ductility in body-centred-cubic multi-principal element alloys

Uniform tensile ductility (UTD) is crucial for the forming/machining capabilities of structural materials. Normally, planar-slip induced narrow deformation bands localize the plastic strains and hence hamper UTD, particularly in body-centred-cubic (bcc) multi-principal element high-entropy alloys (HEAs), which generally exhibit early necking (UTD < 5%). Here we demonstrate a strategy to tailor the planar-slip bands in a Ti-Zr-V-Nb-Al bcc HEA, achieving a 25% UTD together with nearly 50% elongation-to-failure (approaching a ductile elemental metal), while offering gigapascal yield strength. The HEA composition is designed not only to enhance the B2-like local chemical order (LCO), seeding sites to disperse planar slip, but also to generate excess lattice distortion upon deformation-induced LCO destruction, which promotes elastic strains and dislocation debris to cause dynamic hardening. Further, this encourages second-generation planar-slip bands to branch out from first-generation bands, effectively spreading the plastic flow to permeate the sample volume. Moreover, the profuse bands frequently intersect to sustain adequate work-hardening rate (WHR) to large strains. Our strategy showcases the tuning of plastic flow dynamics that turns an otherwise-undesirable deformation mode to our advantage, enabling an unusual synergy of yield strength and UTD for bcc HEAs.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Biogas Plasticization Coupled Anaerobic Digestion: Anaerobic Pump Calorimetry

This paper presents the quantitative bomb calorimetric high heat values (HHV) for residue samples collected from the Anaerobic Pump (®TAP) and a continuous flow stirred tank reactor (CFSTR) anaerobically digesting a 50:50 wastewater sludge substrate. TAP, an advanced anaerobic digestion (AD) process, features biogas plasticization that greatly increases gas production and leaves a mineralized residual. Measured residue HHVs are compared to HHV estimates from literature empirical relationships. Two empirical formulations, the Meraz thermodynamic formulation (with 7.4% moisture) (Meraz et al. The Chemical Educator, 7(2), 66–70, (2002) and the Channiwala Universal formulation (Channiwala et al. Fuel, 81(8), 1051–1063, (2002), compared favorably (within ± 3% mean value) with the bomb measured HHV values. A stoichiometric ICC description for Ucells is derived. The thermodynamic formation potentials of all measured residues are derived including Ucells. An empirical method was used to calculate the entropy of formation (∆{sub f}S) for all residues and Ucells. Krevelen plots show residue molar ratios of oxygen and hydrogen to carbon (H/C, O/C) are linearly correlated with HHV and formation potentials (∆{sub f}G’, ∆{sub f}H’, ∆{sub f}S’) with strong statistical coefficients of determination (R{sup 2}). Residue H/C and O/C ratios fell across the peat classification on the biomass coalification diagram. A wide AD methane fermentation zone ≤ 18.6 MJ/kg is identified. The methods and correlation relationships presented enable the computation of accurate HHV and thermodynamic formation potentials without the necessity of direct thermal measurement. These quantitative results confirm that steady state AD of a well-known heterogeneous solid substrate (WWTP sludge) is a linear thermodynamic process.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Magnetoelastic transition and magnetocaloric effect in induction melted Fe 100-x Rh x bulk alloys with x = 50, 51

Magnetoelastic transitions (METs) in bulk in nearly equiatomic Fe-Rh alloys produced by arc melting may show poor reproducibility related to insufficient chemical homogeneity and presence of impurity phases in variable concentrations. To better understand the synthesis conditions that reliably yield bulk FeRh materials with reproducible MET characteristics, Fe 100-x Rh x alloys with x = 50, 50.5 and 51 at. % were prepared by induction melting and thermal annealing under identical conditions. The fabricated samples were cut into several slices, followed by characterization of METs in each of the slices using isothermal and isofield magnetization measurements, differential scanning calorimetry, and direct measurements of the magnetocaloric effect. All of the slices exhibit METs between the AFM and FM states, but the transitions are abrupt with nearly the same change of magnetization, ΔM, when x = 50.5 and 51, whereas for the x = 50 alloy the transition spreads over a wide temperature interval and ΔM may fluctuate by as much as 10 % from one specimen to another. A comparison of the magnetocaloric responses of x = 50 and 51 materials is presented. The clearly different effect of the magnetic field on the transition in both directions leads to significant differences in the reversibility and maximum values of the magnetic field-induced entropy and adiabatic temperature changes, as well as average hysteresis losses. In terms of reproducibility, our results suggest that induction melting is a more appropriate technique to prepare these binary alloys.

36 MATERIALS SCIENCE↗