Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “ALLOY”

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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Microstructure and strengthening of Al-6Ce-3Ni-0.7Fe (wt%) alloy manufactured by laser powder-bed fusion

In this study, an Al-6Ce-3Ni-0.7Fe (wt%) alloy was fabricated via laser powder-bed fusion and its microstructure, thermal stability, tensile properties, and creep properties are investigated for two rapid-solidification rates with different eutectic spacings. For both faster- and slower-cooled states, the as-fabricated alloy mostly shows elongated grains with very fine eutectic networks (~40 nm lamellar width) comprising a high-volume fraction (~18 %) of intermetallic phases. Faster-cooled samples, however, display a less continuous eutectic network with finer spacing (~100 nm), leading to higher Orowan strengthening and therefore superior microhardness and yield stress up to ~350 °C. Upon aging (300 - 450 °C), micron-size Al 9 (Ni,Fe) 2 needle-like precipitates form within grains, and the Al 11 Ce 3 eutectic network spheroidizes, while retaining a submicron width and spacing, resulting in 33–37 % drop in microhardness after 144 h aging at 400 °C. Limited tensile ductility (~6 %) and creep ductility (~1-2 %) are measured for both faster- and slower-cooled alloys due to an inhomogeneous microstructure, where cavitation preferentially initiates at melt-pool boundaries, precipitate-free zones, and/or denuded zones, eventually leading to local fracture. Denuded zones, induced by stress, form due to diffusional flow with stress-dependent orientations, and are identified as microstructurally weak regions leading to strain localization. The present alloy does not show a significant difference in 300 °C creep resistance between: (i) tensile and compressive loading, (ii) faster- and slower-cooled samples, and (iii) continuous and spheroidized eutectics. Creep resistance at 300 °C is comparable to that of a Ce-richer Al-10.5Ce-3.1Ni-1.2Mn (wt%) alloy, despite the formation of denuded zones and needle-like Al 9 (Ni,Fe) 2 precipitates.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Transferable predictions of energetic and structural properties for refractory solid solution alloys across chemical compositions

We present a data-efficient approach to train graph neural networks (GNNs) on density functional theory (DFT) data for accurate and transferable predictions of energetic and structural properties of refractory solid solution alloys in the niobium-tantalum-vanadium (Nb-Ta-V) chemical space. We start by training the GNN model only on DFT data that describes refractory binary alloys niobium-tantalum (Nb-Ta), niobium-vanadium (Nb-V), and tantalum-vanadium (Ta-V) to predict formation enthalpy and root mean squared displacement. Once trained, the GNN predictions are tested on DFT data describing refractory ternary alloys Nb-Ta-V. While, unsurprisingly, direct transferability from binary to ternary is not sufficiently accurate, augmenting the training with only 1% of the available ternary data (uniformly distributed across the entire range of chemical compositions) improves significantly the quality of the GNN predictions. For comparison, we assess the transferability in the opposite direction by training GNN models on ternary Nb-Ta-V data and making predictions on binaries Nb-Ta, Nb-V, and Ta-V, which exhibits notably higher predictive errors. The proposed methodology, which favors transferability from lower-component to higher-component alloys, offers an efficient path towards avoiding the curse of dimensionality incurred when collecting DFT data for discovery and design of multi-component disordered alloys.

Density functional theory calculations↗
DOE OSTI2022

Phase stability and magnetic and electronic properties of a spark plasma sintered CoFe – P soft magnetic alloy

More efficient power conversion devices are able to transmit greater electrical power across larger distances to satisfy growing global electrical needs. A critical requirement to achieve more efficient power conversion are the soft magnetic materials used as core materials in transformers, inductors, and motors. To that effect it is well known that the use of non-equilibrium microstructures, which are, for example, nanocrystalline or consist of single phase solid solutions, can yield high saturation magnetic polarization and high electrical resistivity necessary for more efficient soft magnetic materials. In this work, we synthesized CoFe – P soft magnetic alloys containing nanocrystalline, single phase solid solution microstructures and studied the effect of a secondary intermetallic phase on the saturation magnetic polarization and electrical resistivity of the consolidated alloy. Single phase solid solution CoFe – P alloys were prepared through mechanically alloying metal powders and phase decomposition was observed after subsequent consolidation via spark plasma sintering (SPS) at various temperatures. The secondary intermetallic phase was identified as the orthorhombic (Co x Fe 1-x ) 2 P phase and the magnetic properties of the (Co x Fe 1-x ) 2 P intermetallic phase were found to be detrimental to the soft magnetic properties of the targeted CoFe – P alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Graded microstructure and mechanical properties of spark plasma sintered Fe-Cr alloys

Developing graded microstructure and mechanical properties is critical for accelerating the design and optimization of structural materials for a wide range of applications. Here, in this study, Fe-Cr alloys were fabricated by spark plasma sintering (SPS) technique. The microstructure, microhardness, and tensile properties of the as-fabricated and thermally annealed variants were investigated. Graded grain structures were created in the as-fabricated cylinders along both axial and radial directions. Grain size was gradually reduced from the sample periphery to the center. Microhardness measurements reveal a gradual decrease of hardness towards the periphery of the samples. The as-fabricated Fe-Cr alloys show a desired combination of tensile strength and elongation, primarily due to the formation of a high density of oxides, voids, dislocations, and grain boundaries. After in-situ thermal annealing at 600 °C under 60 MPa for 2 h using SPS, the Fe-Cr alloys underwent minimal grain growth, and the graded grain structures were retained. The hardness was more uniformly distributed in the annealed variants, and the tensile strength was reduced with an increase in the total elongation, which is attributed to the dissolution of nano-sized oxide particles and the relief of the residual stress. This study demonstrates that SPS coupled with subsequent heat treatment can tailor the graded microstructure and control the mechanical properties of Fe-Cr alloys, showing potential applications in other alloy systems.

36 MATERIALS SCIENCE↗
DOE OSTI2015

First-principles study on the ferrimagnetic half-metallic Mn{sub 2}FeAs alloy

Mn-based full-Heusler alloys are kinds of promising candidates for new half-metallic materials. Basing on first principles, the electronic structures and magnetic properties of the Mn{sub 2}FeAs full-Heusler alloy have been investigated in detail. The Hg{sub 2}CuTi-type Mn{sub 2}FeAs compound obeys the Slater-Pauling rule, while the anti-parallel alignment atomic magnetic moments of Mn locating at different sites indicate it a ferrimagnetic alloy. The calculated spin-down bands behave half-metallic character, exhibiting a direct gap of 0.46 eV with a 100% spin polarization at the Fermi level. More studies show the compound would maintain half-metallic nature in a large range of variational lattice constants. We expect that our calculated results may trigger Mn{sub 2}FeAs applying in the future spintronics field. - Graphical abstract: The d orbitals of Mn and Fe atoms split into multi-degenerated levels which create new bonding and nonbonding states. These exchange splitting shift the Fermi level to origin band gap.▪ - Highlights: • The electronic structure and magnetic properties of Mn{sub 2}FeAs full-Heusler alloy were studied. • A total magnetic moment of 3μ{sub B} was obtained for Mn{sub 2}FeAs alloy, following the SP rule M{sub t}=Z{sub t}−24. • The origin of ferrimagnetism and half-metallic character in Mn{sub 2}FeAs were discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Prediction of novel phase of silicon and Si–Ge alloys

The structural, thermodynamic, elastic, anisotropic and electronic properties of P222{sub 1}-Si have been studied using first-principles calculations. The elastic constants are satisfied with mechanical stability criteria. The mechanical anisotropy is predicted by anisotropic constants Poisson's ratio, shear modulus, Young's modulus and three dimensional curved surface of Young's modulus. These results show that P222{sub 1}-Si and Si–Ge alloys are anisotropic. The sound velocities in different directions and Debye temperature for P222{sub 1}-Si and Si–Ge alloys are also predicted. Electronic structure study shows that P222{sub 1}-Si is an indirect semiconductor with band gap of 0.90 eV. In addition, the band structures of Si–Ge alloys are investigated in this paper. Finally, we also calculate the thermodynamics properties and obtained the relationships between thermal parameters and temperature. - Graphical abstract: Crystal structure and band structure of P222{sub 1}-Si. - Highlights: • A novel P222{sub 1} phase of Si and Si–Ge alloys are proposed. • The mechanical, electronic, and thermodynamic properties of P222{sub 1}-Si are calculated. • The anisotropy of mechanical properties of P222{sub 1}-Si and Si–Ge alloys are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Effect of cold deformation on the recrystallization behavior of FePd alloy at the ordering temperature using electron backscatter diffraction

In this study, the evolution of the recrystallization texture and microstructure was investigated after annealing of 50% and 90% cold-rolled FePd alloy at 530 °C. The FePd alloy was produced by vacuum arc melting in an atmosphere of 97% Ar and 3% H{sub 2}. The specimens were cold rolled to achieve 50% and 90% reduction in thickness. Electron backscatter diffraction measurements were performed on the rolling direction–normal direction section. With increased deformation from 50% to 90%, recrystallized texture transition occurs. For the 50% cold-rolled alloy, the preferred orientation is (0 1 0) [11 0 1], which is close to the cubic orientation after 400 h of annealing. For the 90% cold-rolled alloy, the orientation changes to (0 5 4) [22–4 5] after 16 h of annealing. - Highlights: • Texture and microstructure in cold-rolled FePd alloy was investigated during annealing using EBSD. • The recrystallized texture of 50% cold-rolled FePd is (0 1 0) [11 0 1] at 530 °C for 400 hours. • The recrystallized texture of 90% cold-rolled FePd is changed to (0 5 4) [22–4 5] at 530 °C after 16 hours.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Effects of V addition on recrystallization resistance of 7150 aluminum alloy after simulative hot deformation

The effects of different V contents (0.01 to 0.19 wt.%) on the recrystallization resistance of 7150 aluminum alloys during post-deformation heat treatment were investigated. The microstructural evolutions at as-cast, as-homogenized conditions and after post-deformation annealing were studied using optical, scanning electron and transmission electron microscopes and using the electron backscattered diffraction technique. The precipitation of Al{sub 21}V{sub 2} dispersoids was observed in alloys containing 0.11 to 0.19 wt.% V after homogenization. The dispersoids were mainly distributed in the dendrite cells, and the precipitate-free zones occurred in the interdendritic regions and near grain boundaries. V addition could significantly enhance the recrystallization resistance during post-deformation annealing, particularly in the presence of a great number of Al{sub 21}V{sub 2} dispersoids. Recrystallized grain growth was effectively restricted because of the dispersoid pinning effect. The alloy containing 0.15 wt.% V exhibited the highest recrystallization resistance amongst all V-containing alloys studied. - Highlights: • Investigated the effect of V level on microstructure and flow stress of 7150 alloys • Characterized microstructures using optical microscopy, SEM, TEM and EBSD • Described the precipitation behavior of V-dispersoids in the dendritic structure • Studied the V effect on recrystallization resistance during post heat treatment • V addition greatly enhanced the recrystallization resistance during annealing.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Microstructural characterization of a new mechanically alloyed Ni-base ODS superalloy powder

The microstructure of a new Ni-base oxide dispersion strengthened superalloy powder was studied for high temperature gas turbine applications after the mechanical alloying process. In this study, an atomized powder with a composition similar to the CMSX-10 superalloy was mechanically alloyed with yttria and Hf powders. The mechanically alloyed powder included only the supersaturated solid solution γ phase without γ′ and yttria provided by severe plastic deformation, while after the 3-step aging, the γ′ phase was precipitated due to the partitioning of Al and Ta to the γ′ and Co, Cr, Re, W, and Mo to the γ phase. Mechanical alloying modified the morphology of γ′ to the new coherent γ–γ′ nanoscale lamellar structure to minimize the elastic strain energy of the precipitation, which yielded a low lattice misfit of 0.16% at high temperature. The γ′ lamellae aligned preferentially along the elastically soft [100] direction. Also, the precipitated oxide particles were refined in the γ phase by adding Hf from large incoherent YAlO{sub 3} to fine semi-coherent Y{sub 2}Hf{sub 2}O{sub 7} oxide particles with the average size of 7 nm and low interparticle spacing of 76 nm. - Highlights: • A new Ni-base ODS superalloy powder was produced by mechanical alloying. • The nanoscale γ–γ′ lamellar structure was precipitated after the aging treatment. • Fine semi-coherent Y{sub 2}Hf{sub 2}O{sub 7} oxide particles were precipitated by addition of Hf.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Effects of quench rate and natural ageing on the age hardening behaviour of aluminium alloy AA6060

Quench sensitivity in Al–Mg–Si alloys has been largely attributed to the solute loss at the heterogeneous nucleation sites, primarily dispersoids, during slow cooling after extrusion. As such, the number density of dispersoids, the solute type and concentration are considered to be the key variables for the quench sensitivity. In this study, quench sensitivity and the influence of natural ageing in a lean Al–Mg–Si alloy, AA6060, which contains few dispersoids, have been investigated by hardness measurement, thermal analysis, transmission electron microscopy (TEM) and positron annihilation lifetime spectroscopy (PALS). It is shown that the quench sensitivity in this alloy is associated with the degree of supersaturation of vacancies after cooling. Due to vacancy annihilation and clustering during natural ageing, the quench sensitivity is more pronounced after a short natural ageing time (30 min) compared to a longer natural ageing time (24 h). Therefore, prolonged natural ageing not only leads to an increase in hardness, but can also have a positive effect on the quench sensitivity of lean Al–Mg–Si alloys. - Highlights: • Significant quench sensitivity observed in AA6060 alloy after 30 min natural ageing • Prolonged natural ageing increased hardness and reduced QS. • Low dispersoid density leads to insignificant QS from non-hardening precipitates. • Vacancy supersaturation identified as a contributor to QS.

36 MATERIALS SCIENCE↗
DOE OSTI2016

New insights on the formation of supersaturated Cu-Nb solid solution prepared by mechanical alloying

The deformation-driven alloying mechanisms in the immiscible Cu-Nb system during mechanical alloying (MA) process have been studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high-resolution TEM (HRTEM) observations. It is found that the dominating alloying mechanism changes at the different stages of milling. Initially, the alloying process is mainly governed by interfaces and dislocations, which supply fast diffusion channels between phases. In the intermediate stage, Nb particles with sizes below 8 nm undergo a bcc to fcc allotropic transformation, and the interdiffusion between fcc-Nb and fcc-Cu is promoted due to the similarity of lattice structures. Further milling generates disclination defects, which contribute to the formation of fragments or subgrains with sizes below 5 nm. The introduction of such defects and fragments benefits the formation of a complete Cu-Nb solid solution. The formation kinetics of solid solution is analyzed by Johnson-Mehl-Avrami equation, which suggests that the speed of the diffusion of Nb atoms into Cu is very slow. - Highlights: •The bcc to fcc transformation in Nb nanoparticles promotes diffusion process. •The formation of fragments with sizes below 5 nm is attributed to the disclination defects. •Defect-assisted diffusion is responsible for the alloying process.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Improving precipitation hardening behavior of Mg−Zn based alloys with Ce−Ca microalloying additions

The precipitation hardening behavior of newly developed Mg−Zn−Ca−Ce alloys, with modified texture and improved ductility, is studied to delineate the microstructural characteristics that lead to effective hardening upon ageing treatments. Advanced electron microscopy and atom probe techniques are used to analyze the structural characteristics in relevance to the hardening potential. It has been found that the formation of a new basal precipitate phase, which evolves from a single atomic layer GP zone, and is finely distributed in both under-aged and peak-aged microstructures, has a significant impact in the improvement of the hardening response compared with the base Mg−Zn alloys. It has also been found that the β′{sub 1} rod precipitates, commonly formed during ageing treatments of Mg−Zn alloys, have their size and distribution significantly refined in the Ca−Ce containing alloys. The role of alloy chemistry in the formation of the fine basal plate GP zones and the refinement in β′{sub 1} precipitation and their relationships to the hardening behavior are discussed. It is proposed that Ca microalloying governs the formation of the GP zones and the enhancement of hardening, particularly in the under-aged conditions, but that this is aided by a beneficial effect from Ce. - Highlights: • Ce−Ca microalloying additions improve hardening in Mg−Zn, over Ce or Ca alone. • Improved hardening is due to refined β′{sub 1} rods, and fine basal plate precipitates. • Atom probe tomography identifies Ca in both β′{sub 1} and the fine basal plates. • The fine basal plates originate as ordered monolayer GP zones with 1:1 Zn:Ca (at.%). • With ageing GP zones become more Zn-rich and transform to the fine basal plates.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Utilizing machine learning to predict tensile ductility and yield strength of CoNiV-based multi-principal elements alloys

This study explores the use of machine learning (ML) as a computational tool to accelerate the design of multi-principal element alloys (MPEAs) with improved tensile elongation. An ML model was trained using available experimental data from the literature along with theoretically derived features to predict yield strength (YS) and ductility. A subset of ML-predicted compositions—CoNiVFe, CoNiVTi, CoNiVTiFe, and CoCrNiVTi—was synthesized and evaluated through tensile testing. The ML model underpredicted YS by approximately 20–30 % and overpredicted ductility by 60–70 % for Ti-containing alloys. Microstructural analysis revealed that Ti segregation at interdendritic regions contributed to early fracture, leading to discrepancies in ductility predictions. Ti segregation at these regions likely drives the increased YS due to segregation strengthening. In contrast, the CoNiVFe alloy showed good agreement with both experimental YS and elongation, with prediction errors of ∼10.2 % and ∼20.7 %, respectively. Microstructural characterization revealed minimal segregation in this alloy, suggesting that the ML model can reliably predict the properties of alloys with little to no segregation. These findings highlight the capability of ML in predicting YS with good accuracy but underscore its limitations in capturing defect-driven failure mechanisms such as segregation-induced embrittlement.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Comparing structure-property evolution for PM-HIP and forged alloy 625 irradiated with neutrons to 1 dpa

The nuclear power industry has growing interest in qualifying powder metallurgy with hot isostatic pressing (PM-HIP) to replace traditional alloy fabrication methods for reactor structural components. But there is little known about the response of PM-HIP alloys to reactor conditions. This study directly compares the response of PM-HIP to forged Ni-base Alloy 625 under neutron irradiation doses ~0.5–1 displacements per atom (dpa) at temperatures ranging ~321–385 °C. Post-irradiation examination involves microstructure characterization, ASTM E8 uniaxial tensile testing, and fractography. Up through 1 dpa, PM-HIP Alloy 625 appears more resistant to irradiation-induced cavity nucleation than its forged counterpart, and consequently experiences significantly less hardening. This observed difference in performance can be explained by the higher initial dislocation density of the forged material, which represents an interstitial-biased sink that leaves a vacancy supersaturation to nucleate cavities. These findings show promise for qualification of PM-HIP Alloy 625 for nuclear applications, although higher dose studies are needed to assess the steady-state irradiated microstructure.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2014

Elevated temperature tribology of cobalt and tantalum-based alloys

This paper describes the friction and wear behavior of a Co–Cr alloy sliding on a Ta–W alloy. Measurements were performed in a pin-on-flat configuration with a hemispherically tipped Co-base alloy pin sliding on a Ta–W alloy flat from ambient to 430°C. Focused ion beam-scanning electron microscopy (FIB-SEM) and cross-sectional transmission electron microscopy (TEM) were used to identify the friction-induced changes to the chemistry and crystal structure in the subsurface regions of wear tracks. During sliding contact, transfer of material varied as a function of the test temperature, either from pin-to-flat, flat-to-pin, or both, resulting in either wear loss and/or volume gain. Friction coefficients (μ) and wear rates also varied as a function of test temperature. The lowest friction coefficient (μ=0.25) and wear rate (1×10 –4 mm 3 /N•m) were observed at 430°C in argon atmosphere. This was attributed to the formation of a Co-base metal oxide layer (glaze), predominantly (Co, Cr)O with Rocksalt crystal structure, on the pin surface. Part of this oxide film transferred to the wear track on Ta–W, providing a self-mated oxide-on-oxide contact. Once the oxide glaze is formed, it is able to provide friction reduction for the entire temperature range of this study, ambient to 430°C. Furthermore, the results of this study indicate that glazing the surfaces of Haynes alloys with continuous layers of cobalt chrome oxide prior to wear could protect the cladded surfaces from damage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Entropic Control of HD Exchange Rates over Dilute Pd-in-Au Alloy Nanoparticle Catalysts

Dilute Pd-in-Au alloy catalysts are promising materials for selective hydrogenation catalysis. Extensive surface science studies have contributed mechanistic insight on the energetic aspect of hydrogen dissociation, migration and recombination on dilute alloy systems. Yet, translating these fundamental concepts to the kinetics and free energy of hydrogen dissociation on nanoparticle catalysts operating at ambient pressures and temperatures remains challenging. Here, the effect of the Pd concentration and Pd ensemble size on the catalytic activity, apparent activation energy and rate limiting process is addressed by combining experiment and theory. Experiments in a flow reactor show that a compositional change from 4 to 8 atm% Pd of the Pd-in-Au alloy catalyst leads to strong increase in activity, even exceeding the activity per Pd atom of monometallic Pd under the same conditions, albeit with an increase in apparent activation energy. First-principles calculations show that the rate and apparent activation enthalpy for HD exchange increase when increasing the Pd ensemble size from single Pd atoms to Pd trimers in a Au surface, suggesting that the ensemble size distribution shifts from mainly single Pd atoms on the 4 atm% Pd alloy to larger Pd ensembles of at least three atoms for the 8 atm% Pd/Au catalyst. The DFT studies also indicated that the rate-controlling process is different: H 2 (D 2 ) dissociation determines the rate for single atoms whereas recombination of adsorbed H and D determines the rate on Pd trimers. Both experiment and theory suggest that the increased reaction rate with increasing Pd content and ensemble size stems from an entropic driving force. Lastly, our results support hydrogen migration between Pd sites via Au and indicate that the dilute alloy design prevents the formation of subsurface hydrogen, which is crucial in achieving high selectivity in hydrogenation catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Mechanistic Study of 1,2-Dichloroethane Hydrodechlorination on Cu-Rich Pt–Cu Alloys: Combining Reaction Kinetics Experiments with DFT Calculations and Microkinetic Modeling

Cu-rich Pt–Cu bimetallic catalysts are among the most promising candidates for actively catalyzing the hydrodechlorination of 1,2-dichloroethane (1,2-DCA) toward ethylene production. Combining reaction kinetics experiments with density functional theory (DFT) calculations and mean-field microkinetic modeling, we present a systematic mechanistic study for 1,2-DCA hydrodechlorination on Cu-rich Pt–Cu alloy catalysts. Our DFT (PBE+(TS+SCS)) results suggest that increasing Cu content in the Pt–Cu alloy destabilizes C 2 -species adsorption while stabilizing the binding of atomic chlorine. The reaction energetics of all the elementary steps in the 1,2-DCA reaction network were calculated on a Pt 1 Cu 3 (111) model surface. The DFT results were then used to construct a microkinetic model, and the model-predicted reaction rates were compared with our reaction kinetics experimental results on a Cu-rich SiO 2 -supported Pt–Cu alloy catalyst through a parameter estimation procedure. Both the reaction kinetics experiments and the microkinetic model after parameter adjustments yielded 100% selectivity to ethylene. The microkinetic model pointed to a reaction pathway involving two sequential chlorine-removal steps on the Pt–Cu alloy catalyst, a mechanism distinct from the one previously identified on pure Pt/SiO 2 catalysts, which involved an initial hydrogen-removal step. Adjustments to the DFT-derived parameters indicate the possible formation of chlorine-induced Cu-enriched surface sites during 1,2-DCA hydrodechlorination conditions, sites that are more active than those encountered in the bulk Pt 1 Cu 3 (111) alloy surface. Furthermore, our study offers valuable initial insights on the 1,2-DCA hydrodechlorination reaction mechanism and the nature of the active sites on PtCu bimetallic catalysts.

1,2-Dichloroethane↗
DOE OSTI2015

Galvanomagnetic properties of Fe{sub 2}YZ (Y = Ti, V, Cr, Mn, Fe, Ni; Z = Al, Si) heusler alloys

The Hall effect and the magnetoresistance of Fe{sub 2}YZ Heusler alloys, where Y = Ti, V, Cr, Mn, Fe, and Ni, are the 3d transition metals and Z = Al and Si are the s, p elements of the third period of the periodic table, are studied at T = 4.2 K in magnetic fields H ≤ 100 kOe. It is shown that, in the high-field limit (H > 10 kOe), the value and the sign of the normal (R{sub 0}) and anomalous (R{sub s}) Hall coefficients change anomalously during transition from paramagnetic (Y = Ti, V) to ferromagnetic (Y = Cr, Mn, Fe, Ni) alloys. These coefficients have different signs for all alloys. Constant R{sub s} in the ferromagnetic alloys is positive, proportional to the residual resistivity ratio (R{sub s} ∝ ρ{sub 0}{sup 3.1}), and inversely proportional to spontaneous magnetization. The magnetoresistance of the alloys is a few percent and has a negative sign. A positive addition to transverse magnetoresistance is only detected in high magnetic fields, H > 10 kOe.

36 MATERIALS SCIENCE↗