Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “polarization tensor”

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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Joint Inversion of Regional Waveform, First-Motion Polarity, and Synthetic Aperture Radar Surface Displacement for the Fourth and Sixth North Korean Declared Nuclear Explosions

Here, this study analyzed the Democratic People’s Republic of Korea’s (DPRK) fourth (DPRK4, 6 January 2016 M w 4.49) and sixth (DPRK6, 7 September 2017 M w 5.2) declared nuclear tests, employing a joint seismic and Interferometric Synthetic Aperture Radar (InSAR) inversion to improve understanding of these events and enhance moment tensor (MT) inversion capabilities. The recent efforts have focused on employing seismic waveform and InSAR geodetic deformation data separately to analyze these and the previous nuclear tests (e.g., Chiang et al., 2018; Myers et al., 2018; Wang et al., 2018). Building upon our previous work (Chi-Durán et al., 2021), we performed a joint regional waveform, first-motion (FM) polarity, and surface displacement inversion, which demonstrated improved source-type discrimination, a revised MT solution with reduced scalar moment uncertainty, and an independently constrained location. In this article, we build on the previous results for DPRK6 by including an analysis using a four-layered velocity model with free-surface topography to compute the near-source static deformation Green’s functions. The model consists of a 50 m basalt layer (⁠V P = 2.07 km/s, V S = 1.2 km/s⁠), a 250 m stratified volcanic deposit layer (⁠V P = 1.73 km/s, V S = 1.0 km/s⁠), a 700 m weathered granodiorite layer (⁠V P = 2.5 km/s, V S = 1.3 km/s⁠⁠), and a granodiorite half-space (⁠V P = 5.35 km/s, V S = 3.09 km/s⁠⁠). The half-space shares the velocity of the regional MDJ2 velocity model (Ford et al., 2010), which has proven effective for waveform inversion in the region. This model considers the range of reported values for various lithologies and weathering effects. Our findings show that using the layered velocity model enhances the recovery of source location and depth for both the explosions by improving fits and reducing uncertainties. The joint inversion also improves source-type discrimination and better constrains the scalar seismic moment necessary for downstream yield estimation.

58 GEOSCIENCES↗
DOE OSTI2024

Modeling the electron cyclotron emission radiation signature from suprathermal electrons in a tokamak

An Electron Cyclotron Emission (ECE) modeling code has been developed to model ECE radiation with an arbitrary electron momentum distribution, a small oblique angle, both ordinary (O-mode) and extraordinary polarizations (X-mode), and multiple cyclotron frequency harmonics. The emission and absorption coefficients are calculated using the Poynting theorem from the cold plasma dispersion and the electron–microwave interaction from the full anti-Hermitian tensor. The modeling shows several ECE radiation signatures that can be used to diagnose the population of suprathermal electrons in a tokamak. First, in an n = 2 X-mode (X2) optically thick plasma and oblique ECE view, the modeling shows that only suprathermal electrons, which reside in a finite region of the velocity and space domains, can effectively generate cyclotron emissions to the ECE receiver. The code also finds that the O1 mode is sensitive to suprathermal electrons of both a high v ⊥ and v || , while the X2 mode is dominantly sensitive to suprathermal electrons of a high v ⊥ . Finally, the modeling shows that an oblique ECE system with both X/O polarization and a broad frequency coverage can be used to effectively yield information of the suprathermal electron population in a tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

An effective description of charge diffusion and energy transport in a charged plasma from holography

We discuss the physics of sound propagation and charge diffusion in a plasma with non-vanishing charge density. Our analysis culminates the program initiated in to construct an open effective field theory of low-lying modes of the stress tensor and charge current in such plasmas. We model the plasma holographically as a Reissner-Nordström-AdS d+1 black hole, and study linearized fluctuations of longitudinally polarized scalar gravitons and photons in this background. We demonstrate that the perturbations can be decoupled and repackaged into the dynamics of two designer scalars, whose gravitational coupling is modulated by a non-trivial dilatonic factor. The holographic analysis allows us to isolate the phonon mode from the charge diffusion mode, and identify the combination of currents that corresponds to each of them. We use these results to obtain the real-time Gaussian effective action, which includes both the retarded response and the associated stochastic (Hawking) fluctuations, accurate to quartic order in gradients.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Multimodality in the Search for New Physics in Pulsar Timing Data and the Case of Kination-amplified Gravitational-wave Background from Inflation

We investigate the kination-amplified inflationary gravitational-wave background (GWB) interpretation of the signal recently reported by various pulsar timing array (PTA) experiments. Kination is a post-inflationary phase in the expansion history dominated by the kinetic energy of some scalar field, characterized by a stiff equation of state w = 1. Within the inflationary GWB model, we identify two modes that can fit the current data sets (NANOGrav and EPTA) with equal likelihood: the kination-amplification (KA) mode and the ordinary, no-kination-amplification (no-KA) mode. The multimodality of the likelihood motivates a Bayesian analysis with nested sampling. We analyze the free spectra of current PTA data and mock free spectra constructed with higher signal-to-noise ratios using nested sampling. The analysis of the mock spectrum designed to be consistent with the best fit to the NANOGrav 15 yr (NG15) data successfully reveals the expected bimodal posterior for the first time while excluding the reheating mode that appears in the fit to the current NG15 data, making a case for our correct and comprehensive treatment of potential multimodal posteriors arising from future PTA data sets. The resultant Bayes factor is $\mathcal{B}$ $\equiv$ Z no–KA /Z KA = 2.9 ± 1.9, indicating comparable statistical significance between the two modes. Given the theoretical model-building challenges of producing highly blue-tilted primordial tensor spectra, the KA mode has the advantage of requiring less blue primordial spectra, compared with the no-KA mode. The synergy between future cosmic microwave background polarization, pulsar timing, and laser interferometer measurements of gravitational waves will help resolve the ambiguity implied by the multimodal posterior in PTA-only searches.

Cosmology↗
DOE OSTI2025

Direct measurement of the quantum metric tensor in solids

The quantum metric tensor is a central geometric quantity in modern physics that is defined as the distance between nearby quantum states. Despite numerous studies highlighting its relevance to fundamental physical phenomena in solids, measuring the complete quantum metric tensors in real solid-state materials is challenging. In this work, we report a direct measurement of the full quantum metric tensors of Bloch electrons in solids using black phosphorus as a representative material. We extracted the momentum space distribution of the pseudospin texture of the valence band from the polarization dependence of angle-resolved photoemission spectroscopy measurement. Our approach is poised to advance our understanding of quantum geometric responses in a wide class of crystalline systems.

Kim, Sunje↗
DOE OSTI2021

Planck constraints on the tensor-to-scalar ratio

In this work, we present constraints on the tensor-to-scalar ratio r using Planck data. We use the latest release of Planck maps (PR4), processed with the NPIPE code, which produces calibrated frequency maps in temperature and polarization for all Planck channels from 30 GHz to 857 GHz using the same pipeline. We computed constraints on r using the BB angular power spectrum, and we also discuss constraints coming from the TT spectrum. Given Planck's noise level, the TT spectrum gives constraints on r that are cosmic-variance limited (with $\sigma$ r = 0.093), but we show that the marginalized posterior peaks towards negative values of r at about the 1.2$\sigma$ level. We derived Planck constraints using the BB power spectrum at both large angular scales (the 'reionization bump') and intermediate angular scales (the 'recombination bump') from $\ell$=2 to 150, and find a stronger constraint than that from TT, with $\sigma$ r = 0.069. The Planck BB spectrum shows no systematic bias, and is compatible with zero, given both the statistical noise and the systematic uncertainties. The likelihood analysis using B modes yields the constraint r < 0.158 at 95% confidence using more than 50% of the sky. This upper limit tightens to r < 0.069 when Planck EE, BB, and EB power spectra are combined consistently, and it tightens further to r < 0.056 when the Planck TT power spectrum is included in the combination. Finally, combining Planck with BICEP2/Keck 2015 data yields an upper limit of r < 0.044.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Short-range magnetic order and planar anisotropy in the topological ferrimagnet Mn 3 ⁢Si 2 ⁢Te 6

Mn 3 ⁢Si 2 ⁢Te 6 is a ferrimagnetic topological nodal-line semiconductor that exhibits unconventional colossal magnetoresistance behavior, with short-range spin fluctuations being potentially intimately linked to the emergent properties. Here we determine the short-range magnetic order and anisotropy through total neutron scattering and polarized neutron powder diffraction measurements on polycrystalline Mn 3 ⁢Si 2⁢ Te 6 . Strong in-plane anisotropy is quantified on the Mn ions through extraction of the local site susceptibility tensor. Here, the real-space local spin structure is determined through the application of magnetic pair distribution function analysis covering a wide temperature range. Short-range order over a locally frustrated trimer of three nearest neighbors is found to exist well above the long-range ferrimagnetic transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

A Constraint on Primordial B-modes from the First Flight of the Spider Balloon-borne Telescope

We present the first linear polarization measurements from the 2015 long-duration balloon flight of Spider, which is an experiment that is designed to map the polarization of the cosmic microwave background (CMB) on degree angular scales. The results from these measurements include maps and angular power spectra from observations of 4.8% of the sky at 95 and 150 GHz, along with the results of internal consistency tests on these data. While the polarized CMB anisotropy from primordial density perturbations is the dominant signal in this region of sky, Galactic dust emission is also detected with high significance. Galactic synchrotron emission is found to be negligible in the Spider bands. We employ two independent foreground-removal techniques to explore the sensitivity of the cosmological result to the assumptions made by each. The primary method uses a dust template derived from Planck data to subtract the Galactic dust signal. A second approach, which constitutes a joint analysis of Spider and Planck data in the harmonic domain, assumes a modified-blackbody model for the spectral energy distribution of the dust with no constraint on its spatial morphology. Using a likelihood that jointly samples the template amplitude and r parameter space, we derive 95% upper limits on the primordial tensor-to-scalar ratio from Feldman–Cousins and Bayesian constructions, finding r < 0.11 and r < 0.19, respectively. Roughly half the uncertainty in r derives from noise associated with the template subtraction. New data at 280 GHz from Spider's second flight will complement the Planck polarization maps, providing powerful measurements of the polarized Galactic dust emission.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Polarity-dependence of the nonlinear dielectric response in interfacial water

Molecular dynamics simulations are used to study the nonlinear dielectric responses of a confined aqueous film in a planar nanopore under perpendicular electric fields at varied voltages between confining graphene sheets. Dielectric saturation reminiscent of the bulk phase behavior is prevalent at very strong fields, whereas we observe a nonmonotonic permittivity dependence on the electric field at intermediate strengths where field-alignment and spontaneous polarization of interfacial water are of comparable magnitude. The coupling between the two effects results in distinct dielectric responses at opposite confinement walls. The normal component of both the differential dielectric constant and dielectric difference constant tensors averaged over the region closer to the wall under an incoming electric field (field pointing from the liquid to the solid phase) initially increases with the strength of the imposed field. The differential permittivity peaks at a field strength previously shown to offset the surface-induced orientation bias of hydration molecules at this wall. Further strengthening of the field results in a conventional saturation behavior. At the opposite wall (subject to outgoing field) and in the central region of the water slab, the nonlinear dielectric response resembles bulklike saturation. The conditions at the permittivity extremum coincide with the window of accelerated reorientation rates of interfacial water molecules under an incoming field we uncovered in earlier molecular dynamics analyses.

Chemistry↗
DOE OSTI2024

CMB-S4: Iterative Internal Delensing and r Constraints

Abstract The tightest constraints on the tensor-to-scalar ratio r can only be obtained after removing a substantial fraction of the lensing B -mode sample variance. The planned Cosmic Microwave Background (CMB)-S4 experiment ( cmb-s4.org ) will remove the lensing B -mode signal internally by reconstructing the gravitational lenses from high-resolution observations. We document here a first lensing reconstruction pipeline able to achieve this optimally for arbitrary sky coverage. We make it part of a map-based framework to test CMB-S4 delensing performance and its constraining power on r , including inhomogeneous noise and two non-Gaussian Galactic polarized foreground models. The framework performs component separation of the high-resolution maps, followed by the construction of lensing B -mode templates, which are then included in a parametric small-aperture map cross-spectra-based likelihood for r . We find that the lensing reconstruction and framework achieve the expected performance, compatible with the target σ ( r ) ≃ 5 · 10 −4 in the absence of a tensor signal, after an effective removal of 92%–93% of the lensing B -mode variance, depending on the simulation set. The code for the lensing reconstruction can also be used for cross-correlation studies with large-scale structures, lensing spectrum reconstruction, cluster lensing, or other CMB lensing-related purposes. As part of our tests, we also demonstrate the joint optimal reconstruction of the lensing potential with the lensing curl potential mode at second order in the density fluctuations.

Astronomy & Astrophysics↗
DOE OSTI2023

Determination of the mutual orientation between proton CSA tensors mediated through band-selective 1 H– 1 H recoupling under fast MAS

We report the mutual orientation of nuclear spin interaction tensors provides critical information on the conformation and arrangement of molecules in chemicals, materials, and biological systems at an atomic level. Proton is a ubiquitous and important element in a variety of substances, and its NMR is highly sensitive due to their virtually 100% natural abundance and large gyromagnetic ratio. Nevertheless, the measurement of mutual orientation between the 1 H CSA tensors has remained largely untouched in the past due to strong 1 H– 1 H homonuclear interactions in a dense network of protons. In this study, we have developed a proton-detected 3D 1 H CSA/ 1 H CSA/ 1 H CS correlation method that utilizes three techniques to manage homonuclear interactions, namely fast magic-angle spinning, windowless C-symmetry-based CSA recoupling (windowless-ROCSA), and a band-selective 1 H– 1 H polarization transfer. The asymmetric 1 H CSA/ 1 H CSA correlated powder patterns produced by the C-symmetry-based methods are highly sensitive to the sign and asymmetry parameter of the 1 H CSA, and the Euler angle β as compared to the symmetric pattern obtained by the existing γ-encoded R-symmetry-based CSA/CSA correlation methods and allows a larger spectral area for data fitting. These features are beneficial for determining the mutual orientation between the nuclear spin interaction tensors with improved accuracy.

1H CSA↗
DOE OSTI2024

Magnetic structure and magnetoelectric properties of the spin-flop phase in LiFePO 4

We investigate the magnetic structure and magnetoelectric(ME) effect in the high-field phase of the antiferromagnet LiFePO 4 above the critical field of 31 T. A neutron diffraction study in pulsed magnetic fields reveals the propagation vector to be q = 0 for the high-field magnetic structure. Pulsed-field electric polarization measurements show that, at the critical field, the low-field off-diagonal ME coupling α ab is partially suppressed, and the diagonal element α bb emerges. These results are consistent with a spin-flop transition where the spin direction changes from primarily being along the easy b axis below the transition to being along a above. The persistence of off-diagonal ME tensor elements above the critical field suggests a lowering of the magnetic point-group symmetry and hence a more complex magnetic structure in the high-field phase. In addition, neutron diffraction measurements in low magnetic fields show no observable field-induced spin canting, which indicates a negligible Dzyaloshinskii-Moriya interaction. The observed spin-flop field supports the Hamiltonian recently deduced from inelastic neutron studies and indicates that the system is less frustrated and with a larger single-ion anisotropy than originally thought. Our results demonstrate the effectiveness of combining pulsed-field neutron diffraction and electric polarization measurements to elucidate the magnetic structures and symmetries at the highest attainable field strengths.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

CMB-S4: Forecasting Constraints on Primordial Gravitational Waves

CMB-S4—the next-generation ground-based cosmic microwave background (CMB) experiment—is set to significantly advance the sensitivity of CMB measurements and enhance our understanding of the origin and evolution of the universe. Among the science cases pursued with CMB-S4, the quest for detecting primordial gravitational waves is a central driver of the experimental design. This work details the development of a forecasting framework that includes a power-spectrum-based semianalytic projection tool, targeted explicitly toward optimizing constraints on the tensor-to-scalar ratio, r, in the presence of Galactic foregrounds and gravitational lensing of the CMB. This framework is unique in its direct use of information from the achieved performance of current Stage 2–3 CMB experiments to robustly forecast the science reach of upcoming CMB-polarization endeavors. The methodology allows for rapid iteration over experimental configurations and offers a flexible way to optimize the design of future experiments, given a desired scientific goal. To form a closed-loop process, we couple this semianalytic tool with map-based validation studies, which allow for the injection of additional complexity and verification of our forecasts with several independent analysis methods. We document multiple rounds of forecasts for CMB-S4 using this process and the resulting establishment of the current reference design of the primordial gravitational-wave component of the Stage-4 experiment, optimized to achieve our science goals of detecting primordial gravitational waves for r > 0.003 at greater than 5σ, or in the absence of a detection, of reaching an upper limit of r < 0.001 at 95% CL.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Multiclustering needlet ILC for CMB B -mode component separation

ABSTRACT The Cosmic Microwave Background (CMB) primordial B-mode signal is predicted to be much lower than the polarized Galactic emission (foregrounds) in any region of the sky pointing to the need for sophisticated component separation methods. Among them, the blind Needlet Internal Linear Combination (NILC) has great relevance given our current poor knowledge of the B-mode foregrounds. However, the expected level of spatial variability of the foreground spectral properties complicates the NILC subtraction of the Galactic contamination. We therefore propose a novel extension of the NILC approach, the Multiclustering NILC (MC-NILC), which performs NILC variance minimization on separate regions of the sky (clusters) properly chosen to have similar spectral properties of the B-mode Galactic emission within them. Clusters are identified thresholding either the ratio of simulated foregrounds-only B modes (ideal case) or the one of cleaned templates of Galactic emission obtained from realistic simulations. In this work we present an application of MC-NILC to the future LiteBIRD satellite, which targets the observation of both reionization and recombination peaks of the primordial B-mode angular power spectrum with a total error on the tensor-to-scalar ratio δr < 0.001. We show that MC-NILC provides a CMB solution with residual foreground and noise contamination that is significantly lower than the NILC one and the primordial signal targeted by LiteBIRD at all angular scales for the ideal case and at the reionization peak for a realistic ratio. Thus, MC-NILC will represent a powerful method to mitigate B-mode foregrounds for future CMB polarization experiments.

Astronomy & Astrophysics↗
DOE OSTI2025

Gluon unpolarized, polarized, and transversity GPDs from lattice QCD: Lorentz-covariant parametrization

We identify the matrix elements necessary to determine the leading-twist gluon generalized parton distributions (GPDs) H g , E g , H ˜ g , E ˜ g , H g T , E g T , H ˜ g T , E ˜ g T in lattice QCD calculations. We present a method to achieve a Lorentz-covariant parameterization of the matrix elements in terms of a linearly independent basis of tensor structures. This parameterization is crucial for projecting lattice QCD matrix elements onto light cone distributions. For the first time, we determine the corresponding components that project onto the linear combinations of invariant amplitudes, which reduce to the different gluon GPDs in the light cone limit and enable their separation in a lattice QCD calculation for spin-0 and spin- 1 2 hadrons. Hence, this work lays the foundation for the numerical determination of the gluon GPDs from first-principle lattice QCD calculations, directly advancing our understanding of the mass and spin structures and mechanical properties of the nucleon, as well as the physics underlying deeply virtual Compton scattering and deeply virtual meson production in a range of experimental processes. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Planck 2018 results

We report on the implications for cosmic inflation of the 2018 release of the Planck cosmic microwave background (CMB) anisotropy measurements. The results are fully consistent with those reported using the data from the two previous Planck cosmological releases, but have smaller uncertainties thanks to improvements in the characterization of polarization at low and high multipoles. Planck temperature, polarization, and lensing data determine the spectral index of scalar perturbations to be n s = 0.9649 ± 0.0042 at 68% CL. We find no evidence for a scale dependence of n s , either as a running or as a running of the running. The Universe is found to be consistent with spatial flatness with a precision of 0.4% at 95% CL by combining Planck with a compilation of baryon acoustic oscillation data. The Planck 95% CL upper limit on the tensor-to-scalar ratio, r0.002 < 0.10, is further tightened by combining with the BICEP2/Keck Array BK15 data to obtain r 0.002 < 0.056. In the framework of standard single-field inflationary models with Einstein gravity, these results imply that: (a) the predictions of slow-roll models with a concave potential, V"(Φ) < 0, are increasingly favoured by the data; and (b) based on two different methods for reconstructing the inflaton potential, we find no evidence for dynamics beyond slow roll. Three different methods for the non-parametric reconstruction of the primordial power spectrum consistently confirm a pure power law in the range of comoving scales 0.005 Mpc -1 ≲ k ≲ 0.2 Mpc -1 . A complementary analysis also finds no evidence for theoretically motivated parameterized features in the Planck power spectra. For the case of oscillatory features that are logarithmic or linear in k, this result is further strengthened by a new combined analysis including the Planck bispectrum data. The new Planck polarization data provide a stringent test of the adiabaticity of the initial conditions for the cosmological fluctuations. In correlated, mixed adiabatic and isocurvature models, the non-adiabatic contribution to the observed CMB temperature variance is constrained to 1.3%, 1.7%, and 1.7% at 95% CL for cold dark matter, neutrino density, and neutrino velocity, respectively. Planck power spectra plus lensing set constraints on the amplitude of compensated cold dark matter-baryon isocurvature perturbations that are consistent with current complementary measurements. The polarization data also provide improved constraints on inflationary models that predict a small statistically anisotropic quadupolar modulation of the primordial fluctuations. However, the polarization data do not support physical models for a scale-dependent dipolar modulation. All these findings support the key predictions of the standard single-field inflationary models, which will be further tested by future cosmological observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

An experimental program with high duty-cycle polarized and unpolarized positron beams at Jefferson Lab

Positron beams, both polarized and unpolarized, are identified as important ingredients for the experimental programs at the next generation of lepton accelerators. In the context of the hadronic physics program at Jefferson Lab (JLab), positron beams are complementary, even essential, tools for a precise understanding of the electromagnetic structure of nucleons and nuclei, in both the elastic and deep-inelastic regimes. For instance, elastic scattering of polarized and unpolarized electrons and positrons from the nucleon enables a model independent determination of its electromagnetic form factors. Also, the deeply-virtual scattering of polarized and unpolarized electrons and positrons allows unambiguous separation of the different contributions to the cross section of the lepto-production of photons and of lepton-pairs, enabling an accurate determination of the nucleons and nuclei generalized parton distributions, and providing an access to the gravitational form factors of the energy-momentum tensor. Furthermore, positron beams offer the possibility of alternative tests of the Standard Model of particle physics through the search of a dark photon, the precise measurement of electroweak couplings, and the investigation of charged lepton flavor violation. This document discusses the perspectives of an experimental program with high duty-cycle positron beams at JLab.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Structural Studies of Alloyed and Nanoparticle Transition Metal Dichalcogenides by Selenium-77 Solid-State Nuclear Magnetic Resonance Spectroscopy

Layered transition metal dichalcogenides (TMDCs) such as MoS 2 , MoSe 2 , and WSe 2 are under intense investigation because they are atomically thin semiconductors with photophysical properties that can be tuned by changing their composition or morphology. Mechanochemical processing has been proposed as a method to obtain alloyed TMDCs in the series Mo 1–x W x S y Se 2–y (x = 0–1; y = 0–2). However, elucidating the chemical transformations occurring at the atomic scale following mechanochemical processing can be challenging because the products are often amorphous or microcrystalline. To address this challenge, we probe TMDC mixing and alloying by using a combination of powder X-ray diffraction, Raman spectroscopy, diffuse reflectance spectroscopy, 77 Se solid-state nuclear magnetic resonance (SSNMR) spectroscopy, and planewave density functional theory (DFT) calculations. The nature of the milling material and reaction atmosphere are shown to be essential factors in limiting the formation of undesired oxide byproducts. We demonstrate acquisition of 77 Se SSNMR spectra using different combinations of Carr-Purcell Meiboom-Gill acquisition (CPMG) pulse sequences, magic angle spinning (MAS), and MAS dynamic nuclear polarization. Further, the combination of SSNMR with the other characterization methods clearly demonstrates that high energy impact ball milling induces molecular level alloying of Mo, W and chalcogen atoms in the family Mo 1–x W x S y Se 2–y . Gauge including projector augmented wave DFT calculations yield accurate 77 Se chemical shift (CS) tensor components. 77 Se SSNMR spectroscopy was also applied to study the structure of WSe 2 nanocrystals intercalated with ethylenediamine. The intercalated WSe 2 nanocrystals exhibit a more positive isotropic 77 Se CS as compared to bulk WSe 2 , however, the 77 Se CS anisotropy is the same, confirming the WSe 2 layers have a similar structure as in their bulk counterparts.

36 MATERIALS SCIENCE↗