Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “PT”

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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Magnetic properties of Fe-Mn-Pt for heat assisted magnetic recording applications

We calculate the electronic structures of FePt and Fe{sub 0.5}Mn{sub 0.5}Pt using first-principles calculations based on density functional theory within the local-spin-density approximation. The Curie temperature (T{sub c}) was calculated by mean field approximation. Composition dependence of the Cure temperature (T{sub c}(x)) of Fe{sub 1−x}Mn{sub x}Pt was used to identify a composition to meet the desired T{sub c} in the range of 600–650 K. The identified composition (0.0294 ≤ x ≤ 0.0713) gives saturation magnetization (M{sub s}) in the range of 1041–919 emu/cm{sup 3} and magnetocrystalline anisotropy constant (K) in the range of 9.96–8.36 × 10{sup 6 }J/m{sup 3} at 0 K. Temperature dependent M(T) and K(T) of Fe{sub 1−x}Mn{sub x}Pt (0.0294 ≤ x ≤ 0.0713) were calculated using the Brillouin function and Callen-Callen experimental relation, respectively. Fe{sub 1−x}Mn{sub x}Pt (0.0294 ≤ x ≤ 0.0713) shows 930–800 emu/cm{sup 3} of M{sub s} and 7.18–5.61 × 10{sup 6 }J/m{sup 3} of K at 300 K, thereby satisfying desired magnetic properties for heat-assisted magnetic recording media to achieve 4 Tb/in.{sup 2} areal density.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Phosphor doping enhanced c-axis alignment and exchange decoupling of sputtered Co-Pt perpendicular thin films

In the present work, Co-23.0 at. % Pt and Co-23.0 at. % Pt-3.67 at. % P thin films with their c-axis perpendicular to the substrate surface were fabricated on a glass substrate by DC magnetron sputtering. X-ray diffraction and transmission electron microscopic analyses demonstrate that the doping of P improves the c-axis alignment and forms P-rich non-magnetic phase at grain boundary areas, the latter resulting in inter-granular exchange decoupling between Co-Pt grains. The improved c-axis alignment and the inter-granular exchange decoupling give rise to the increase of the out of plane coercivity and the squareness of the Co-Pt-P films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Availability of surface boron species in improved oxygen reduction activity of Pt catalysts: A first-principles study

The oxidation process of boron (B) species on the Pt(111) surface and the beneficial effects of boron oxides on the oxygen reduction activity are investigated by first-principles calculations. The single-atom B anchored on the Pt surface has a great attraction for the oxygen species in the immediate environment. With the dissociation of molecular oxygen, a series of boron oxides is formed in succession, both indicating exothermic oxidation reactions. After BO{sub 2} is formed, the subsequent O atom immediately participates in the oxygen reduction reaction. The calculated O adsorption energy is appreciably decreased as compared to Pt catalysts, and more approximate to the optimal value of the volcano plot, from which is clear that O hydrogenation kinetics is improved. The modulation mechanism is mainly based on the electron-deficient nature of stable boron oxides, which normally reduces available electronic states of surface Pt atoms that bind the O by facilitating more electron transfer. This modification strategy from the exterior opens the new way, different from the alloying, to efficient electrocatalyst design for PEMFCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

The role of Pt underlayer on the magnetization dynamics of perpendicular magnetic anisotropy Pt/Co{sub 2}FeAl{sub 0.5}Si{sub 0.5}/MgO

We investigate the role of Pt on the magnetization dynamics of Pt/Co{sub 2}FeAl{sub 0.5}Si{sub 0.5}/MgO with perpendicular magnetic anisotropy using the time resolved magneto-optic Kerr effect. Pt/Co{sub 2}FeAl{sub 0.5}Si{sub 0.5}/MgO shows ultrafast magnetization dynamics comparable to 3d ferromagnets and can be fully demagnetized. The demagnetization time τ{sub d} ∼ 0.27 ps and magnetic heat capacity are independent of the Pt underlayer, whereas the value of the electron-phonon coupling time τ{sub e} ∼ 0.77 ps depends on the presence of the Pt layer. We further measure the effective damping α{sub eff} ∼ 1 that does not scale as the inverse demagnetization time (1/τ{sub d}), but is strongly affected by the Pt layer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Optical constants of magnetron sputtered Pt thin films with improved accuracy in the N- and O-electronic shell absorption regions

We introduce an experimental, self-consistent determination of the optical constants (refractive index) of Pt using a combination of photoabsorption and reflectance data in the photon energy range 25–778 eV, which includes the N- and O-shell electronic absorption edges of Pt. We compare our new experimental values with Pt optical constant data sets from the literature. Our Pt optical constant values demonstrate highly resolved absorption-edge fine structure around the O 2,3 and N 6,7 edges in both the absorptive and dispersive portions of the refractive index, which were missing in the earlier literature.

36 MATERIALS SCIENCE↗
DOE OSTI2020

PT-symmetry entails pseudo-Hermiticity regardless of diagonalizability

We prove that in finite dimensions, a Parity-Time (PT)-symmetric Hamiltonian is necessarily pseudo-Hermitian regard-less of whether it is diagonalizable or not. This result is different from Mostafazadeh’s, which requires the Hamiltonian to be diagonalizable. PT-symmetry breaking often occurs at exceptional points where the Hamiltonian is not diagonalizable. Our result implies that PT-symmetry breaking is equivalent to the onset of instabilities of pseudo-Hermitian systems, which was systematically studied by Krein et al. in 1950s. In particular, we show that the mechanism of PT-symmetry breaking is the resonance between two eigen modes with opposite signs of actions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

A comprehensive ARPES study on the type-II Dirac semimetal candidate Ir 1-x Pt x Te 2

The transition metal dichalcogenide Ir 1-x Pt x Te 2 displays both superconductivity and a topological band structure. Using angle-resolved photoemission spectroscopy, we obtain a comprehensive understanding of the three-dimensional electronic structure in the normal state of Ir 1-x Pt x Te 2 for doping levels from x = 0.1 to 0.4, which spans the composition range of a superconducting state to a non-superconducting state. Many features of the electronic structure can be attributed to strong Te–Te interactions between the layers of the layered crystal structure and can be resolved by photon energy dependent measurements. We demonstrate that the type-II Dirac fermions can be successfully tuned via Pt doping, where the Dirac point lies close to the Fermi level for x = 0.1. The band evolution vs doping provides a clearer understanding of the relationship between the superconductivity and electronic structure. In addition, the β band in the superconducting samples locates the system close to a type-II van Hove singularity, where spin triplet paring symmetry has been predicted. Our results provide a comprehensive understanding of the band structure of Ir 1-x Pt x Te 2 , and we discuss the possibilities of the existence of topological superconductivity in this system.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Structure evolution of single-site Pt in a metal–organic framework

Heterogeneous single-metal-site catalyst or single-atom catalyst research has grown rapidly due to the accessibility of modern characterization techniques that can provide invaluable information at the atomic-scale. Herein, we study the structural evolution of isolated single Pt sites incorporated in a metal–organic framework containing bipyridine functional groups using in situ diffuse reflectance infrared Fourier transform spectroscopy with CO as the probe molecule. The structure and electronic properties of the isolated Pt sites are further corroborated by x-ray photoelectron spectroscopy and aberration-corrected scanning transmission electron microscopy. Here, we find the prerequisite of high temperature He treatment for Pt activation and CO insertion and inquire into the structural transformation of Pt site process by dynamic nuclear polarization-enhanced solid-state nuclear magnetic resonance spectroscopy.

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

Transition metals of Pt and Pd on the surface of topological insulator Bi2Se3

Transition metal catalysts supported on topological insulators are predicted to show improved catalytic properties due to the presence of topological surface states, which may float up to the catalysts and provide robust electron transfer. However, experimental studies of surface structures and corresponding catalytic properties of transition metal/topological insulator heterostructures have not been demonstrated so far. Here, we report the structures, chemical states, and adsorption behaviors of two conventional transition metal catalysts, Pt and Pd, on the surface of Bi2Se3, a common topological insulator material. We reveal that Pt forms nanoparticles on the Bi2Se3 surface. Moreover, the interaction between Pt and surface Se is observed. Furthermore, thermal dosing of O2 onto the Pt/Bi2Se3 heterostructure leads to no oxygen adsorption. Detailed scanning tunneling microscopy study indicates that Pt transforms into PtSe2 after the thermal process, thus preventing O2 from adsorption. For another transition metal Pd, it exhibits approximate layer-island growth on Bi2Se3, and Pd–Se interaction is also observed. Our work provides significant insights into the behaviors of transition metals on top of a common topological insulator material and will assist in the future design of catalysts built with topological materials.

Chemistry↗
DOE OSTI2022

Modeling surface spin polarization on ceria-supported Pt nanoparticles

In this work, we employ density functional theory simulations to investigate possible spin polarization of CeO 2 -(111) surface and its impact on the interactions between a ceria support and Pt nanoparticles. With a Gaussian type orbital basis, our simulations suggest that the CeO 2 -(111) surface exhibits a robust surface spin polarization due to the internal charge transfer between atomic Ce and O layers. In turn, it can lower the surface oxygen vacancy formation energy and enhance the oxide reducibility. We show that the inclusion of spin polarization can significantly reduce the major activation barrier in the proposed reaction pathway of CO oxidation on ceria-supported Pt nanoparticles. For metal-support interactions, surface spin polarization enhances the bonding between Pt nanoparticles and ceria surface oxygen, while CO adsorption on Pt nanoparticles weakens the interfacial interaction regardless of spin polarization. However, the stable surface spin polarization can only be found in the simulations based on the Gaussian type orbital basis. Furthermore, given the potential importance in the design of future high-performance catalysts, our present study suggests a pressing need to examine the surface ferromagnetism of transition metal oxides in both experiment and theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

PT symmetry, pattern formation, and finite-density QCD

A longstanding issue in the study of quantum chromodynamics (QCD) is its behavior at nonzero baryon density, which has implications for many areas of physics. The path integral has a complex integrand when the quark chemical potential is nonzero and therefore has a sign problem, but it also has a generalized ${\mathscr{PT}}$ symmetry. We review some new approaches to ${\mathscr{PT}}$-symmetric field theories, including both analytical techniques and methods for lattice simulation. We show that ${\mathscr{PT}}$-symmetric field theories with more than one field generally have a much richer phase structure than their Hermitian counterparts, including stable phases with patterning behavior. The case of a ${\mathscr{PT}}$-symmetric extension of a φ 4 model is explained in detail. The relevance of these results to finite density QCD is explained, and we show that a simple model of finite density QCD exhibits a patterned phase in its critical region.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

PT-symmetric representations of fermionic algebras

A recent paper by Jones-Smith and Mathur, Phys. Rev. A 82, 042101 (2010) extends PT-symmetric quantum mechanics from bosonic systems (systems for which T{sup 2}=1) to fermionic systems (systems for which T{sup 2}=-1). The current paper shows how the formalism developed by Jones-Smith and Mathur can be used to construct PT-symmetric matrix representations for operator algebras of the form {eta}{sup 2}=0, {eta}{sup 2}=0, {eta}{eta}+{eta}{eta}={alpha}1, where {eta}={eta}{sup PT}=PT{eta}T{sup -1}P{sup -1}. It is easy to construct matrix representations for the Grassmann algebra ({alpha}=0). However, one can only construct matrix representations for the fermionic operator algebra ({alpha}{ne}0) if {alpha}=-1; a matrix representation does not exist for the conventional value {alpha}=1.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Saddle-point Van Hove singularity and dual topological state in Pt 2 HgSe 3

Saddle-point Van Hove singularities in the topological surface states are interesting because they can provide a new pathway for accessing exotic correlated phenomena in topological materials. Here, based on first-principles calculations combined with a k · p model Hamiltonian analysis, we show that the layered platinum mineral jacutingaite (Pt 2 HgSe 3 ) harbors saddlelike topological surface states with associated Van Hove singularities. Pt 2 HgSe 3 is shown to host two distinct types of nodal lines without spin-orbit coupling (SOC), which are protected by combined inversion ($\mathcal{I}$) and time-reversal ($\mathcal{T}$) symmetries. Switching on the SOC gaps out the nodal lines and drives the system into a topological state with nonzero weak topological invariant $Z_2$ = (0; 001) and mirror Chern number $n_M$ = –2. Surface states on the naturally cleaved (001) surface are found to be nontrivial with a unique saddlelike energy dispersion with type II Van Hove singularities. We also discuss how modulating the crystal structure can drive Pt 2 HgSe 3 into a Dirac semimetal state with a pair of Dirac points. In this work, our results indicate that Pt 2 HgSe 3 is an ideal candidate material for exploring the properties of topological insulators with saddlelike surface states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Magnetic structure and exchange interactions in the Heisenberg pyrochlore antiferromagnet Gd 2 Pt 2 O 7

In this report the Heisenberg pyrochlore antiferromagnet Gd 2 Pt 2 O 7 is one of a series of gadolinium pyrochlore compounds with a variety of B-site cations. Despite the expected simplicity of a spin-only Gd 3+ Heisenberg interaction model, the gadolinium pyrochlore series exhibits various complex magnetic ground states at low temperature. Gd 2 Pt 2 O 7 displays the highest temperature magnetic order of the series with $T_N$=1.6 K, which has been attributed to enhanced superexchange pathways facilitated by empty $5d$ $e_g$ Pt orbitals. In this study, we use various neutron scattering techniques on an isotopically enriched polycrystalline 160 Gd 2 Pt 2 O 7 sample to examine the magnetic structure and spin-wave excitation spectrum below $T_N$ in order to extract the dominant exchange interactions. We find that the ground-state magnetic structure is the Palmer-Chalker state previously seen in Gd 2 Sn 2 O 7 with an associated gapped excitation spectrum consistent with enhanced exchange interactions between further near-neighbor Gd 3+ ions. We confirm this exchange model with analysis of the magnetic diffuse scattering in the paramagnetic regime using polarized neutrons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Atomic structure of Pt nanoclusters supported by graphene/Ir(111) and reversible transformation under CO exposure

We investigate the atomic structure of graphene/Ir(111) supported platinum clusters with on average fewer than 40 atoms by means of surface x-ray diffraction (SXRD), grazing incidence small angle x-ray scattering (GISAXS), and normal incidence x-ray standing waves (NIXSW) measurements, in comparison with density functional theory calculations (DFT). GISAXS revealed that the clusters with 1.3 nm diameter form a regular array with domain sizes of 90 nm. SXRD shows that the 1–2 monolayer high, (111) oriented Pt nanoparticles grow epitaxially on the graphene support. From the combined analysis of the SXRD and NIXSW data, a three-dimensional (3D) structural model of the clusters and the graphene support can be deduced which is in line with the DFT results. For the clusters grown in ultrahigh vacuum the lattice parameter is reduced by (4.6±0.1)% compared to bulk platinum. The graphene layer undergoes a strong Pt adsorption induced buckling, caused by a rehybridization of the carbon atoms below the cluster. Lastly, in situ observation of the Pt clusters in CO and O 2 environments revealed a reversible change of the clusters' strain state while successively dosing CO at room temperature and O 2 at 575 K, pointing to a CO oxidation activity of the Pt clusters.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Superconducting and normal state properties of the systems La 1 - x M x Pt 4 Ge 12 ( M = Ce , Th )

Electrical resistivity, magnetization, and specific heat measurements were performed on polycrystalline samples of the filled-skutterudite systems La 1-x M x Pt 4 Ge 12 (M = Ce, Th). Superconductivity in LaPt4Ge12 was quickly suppressed with Ce substitution and no evidence for superconductivity was found down to 1.1 K for x > 0.2. Temperature-dependent specific heat data at low temperatures for La 1-x Ce x Pt 4 Ge 12 show a change from power-law to exponential behavior, which may be an indication for multi-band superconductivity in LaPt 4 Ge 12 . A similar crossover was observed in the Pr 1-x Ce x Pt 4 Ge 12 system. However, the suppression rates of the superconducting transition temperatures, T c (x), in the two systems are quite disparate, indicating a difference in the nature of superconductivity, which is conventional in LaPt 4 Ge 12 and unconventional in PrPt 4 Ge 12 . In comparison, a nearly linear and smooth evolution of T c with increasing Th was observed in the La 1-x Th x Pt 4 Ge 12 system, with no change of the superconducting energy gap in the temperature dependence of the specific heat, suggesting similar types of superconductivity in both the LaPt 4 Ge 12 and ThPt 4 Ge 12 compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Description of the multinucleon transfer mechanism for Ca 48 + Pu 244 and Kr 86 + Pt 198 reactions in a quantal transport approach

Multinucleon transfer (MNT) reactions involving heavy projectile and target combinations stand as a promising method for synthesizing new neutron-rich exotic nuclei, which may not be possible using hot or cold fusion reactions or fragmentation. Exploring the mechanisms behind MNT reactions is essential and it requires a comprehensive theoretical framework that can explain the physical observables in these reactions. This work aims to show that the quantal diffusion approach based on the stochastic mean-field (SMF) theory is capable of explaining the reaction dynamics observed in MNT reactions. Primary product mass distributions in 48 Ca + 244 Pu reaction at E c.m. = 203.2 MeV and 86 Kr + 198 Pt reaction at E c.m. = 324.2 MeV are calculated and compared with the available experimental data. In this work, we utilize the time-dependent Hartree-Fock (TDHF) calculations to analyze the mean-field reaction dynamics computationally in the reactions 48 Ca + 244 Pu and 86 Kr + 198 Pt for a broad range of initial angular momenta. Quantal transport description based on the SMF approach is used to calculate quantal diffusion coefficients and mass variances in 48 Ca + 244 Pu and 86 Kr + 198 Pt systems. The primary products arising from quasifission reactions are described by joint probability distribution in the SMF approach and those arising from fusion-fission are estimated by using the statistical deexcitation code gemini + +. Mean values of charge and mass numbers, scattering angles of the primary reaction products, and the total kinetic energies after the collision are calculated within the TDHF framework for a broad range of initial angular momenta. Throughout all the collisions, drift toward the mass symmetry and large mass dispersion associated with this drift are observed. Here, the calculated primary fragment and mass distributions using the SMF approach successfully explain experimental observations for the 48 Ca + 244 Pu and 86 Kr + 198 Pt systems. The primary mass distributions, mean values of binary products, and mass dispersions are determined and results are compared with the available experimental data. The observed agreement between the experimental data and SMF results highlights the effectiveness of the quantal diffusion mechanism based on the SMF approach, which does not include any adjustable parameters other than standard parameters of Skyrme energy density functional.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Jarzynski equality in PT-symmetric quantum mechanics

We show that the quantum Jarzynski equality generalizes to PT -symmetric quantum mechanics with unbroken PT -symmetry. In the regime of broken PT -symmetry the Jarzynski equality does not hold as also the CPT -norm is not preserved during the dynamics. These findings are illustrated for an experimentally relevant system – two coupled optical waveguides. It turns out that for these systems the phase transition between the regimes of unbroken and broken PT -symmetry is thermodynamically inhibited as the irreversible work diverges at the critical point.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗