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Origin of Large Effective Phonon Magnetic Moments in Monolayer MoS 2

Recent helicity-resolved magneto-Raman spectroscopy measurement demonstrates large effective phonon magnetic moments of ~2.5 μ B in monolayer MoS 2 , highlighting resonant excitation of bright excitons as a feasible route to activate Γ-point circularly polarized phonons in transition metal dichalcogenides. However, a microscopic picture of this intriguing phenomenon remains lacking. In this work, we show that an orbital transition between the split conduction bands (Δ 0 = 4 meV) of MoS 2 couples to the doubly degenerate E" phonon mode (Ω 0 = 33 meV), forming two hybridized states. Our phononic and electronic Raman scattering measurements capture these two states: (i) one with predominantly phonon contribution in the helicity-switched channels and (ii) one with primarily orbital contribution in the helicity-conserved channels. An orbital-phonon coupling model successfully reproduces the large effective magnetic moments of the circularly polarized phonons and explains their thermodynamic properties. Strikingly, the Raman mode from the orbital transition is superimposed on a strong quasi-elastic scattering background, indicating the presence of spin fluctuations. As a result, the electrons excited to the conduction bands through the exciton exhibit paramagnetic behavior although MoS 2 is generally considered as a nonmagnetic material. By depositing nanometer-thickness nickel thin films on monolayer MoS 2 , we tune the electronic structure so that the A exciton perfectly overlaps with the 633 nm laser. The optimization of resonance excitation leads to pronounced tunability of the orbital-phonon hybridized states. Our results generalize the orbital-phonon coupling model of effective phonon magnetic moments to material systems beyond the paramagnets and magnets.

2D transition metal dichalcogenide

PIV and Rotational Raman-Based Temperature Measurements for CFD Validation in a Single Injector Cooling Flow

Film cooling is used in a wide variety of engineering applications for protection of surfaces from hot or combusting gases. The design of more efficient thin film cooling geometries/configurations could be facilitated by an ability to accurately model and predict the effectiveness of current designs using computational fluid dynamics (CFD) code predictions. Hence, a benchmark set of flow field property data were obtained for use in assessing current CFD capabilities and for development of better turbulence models. Both Particle Image Velocimetry (PIV) and spontaneous rotational Raman scattering (SRS) spectroscopy were used to acquire high quality, spatially-resolved measurements of the mean velocity, turbulence intensity and also the mean temperature and normalized root mean square (rms) temperatures in a single injector cooling flow arrangement. In addition to flowfield measurements, thermocouple measurements on the plate surface enabled estimates of the film effectiveness. Raman spectra in air were obtained across a matrix of radial and axial locations downstream from a 68.07 mm square nozzle blowing heated air over a range of temperatures and Mach numbers, across a 30.48 cm long plate equipped with a single injector cooling hole. In addition, both centerline streamwise 2-component PIV and cross-stream 3-component Stereo PIV data at 15 axial stations were collected in the same flows. The velocity and temperature data were then compared against Wind-US CFD code predictions for the same flow conditions. The results of this and planned follow-on studies will support NASA's development and assessment of turbulence models for heated flows.

Raman Scattering

PIV and Rotational Raman-Based Temperature Measurements for CFD Validation in a Single Injector Cooling Flow

Film cooling is used in a wide variety of engineering applications for protection of surfaces from hot or combusting gases. The design of more efficient thin film cooling geometries/configurations could be facilitated by an ability to accurately model and predict the effectiveness of current designs using computational fluid dynamics (CFD) code predictions. Hence, a benchmark set of flow field property data were obtained for use in assessing current CFD capabilities and for development of better turbulence models. Both Particle Image Velocimetry (PIV) and spontaneous rotational Raman scattering (SRS) spectroscopy were used to acquire high quality, spatially-resolved measurements of the mean velocity, turbulence intensity and also the mean temperature and normalized root mean square (rms) temperatures in a single injector cooling flow arrangement. In addition to flowfield measurements, thermocouple measurements on the plate surface enabled estimates of the film effectiveness. Raman spectra in air were obtained across a matrix of radial and axial locations downstream from a 68.07 mm square nozzle blowing heated air over a range of temperatures and Mach numbers, across a 30.48cm long plate equipped with a single injector cooling hole. In addition, both centerline streamwise 2-component PIV and cross-stream 3-component Stereo PIV data at 15 axial stations were collected in the same flows. The velocity and temperature data were then compared against Wind-US CFD code predictions for the same flow conditions. The results of this and planned follow-on studies will support NASA's development and assessment of turbulence models for heated flows.

Wernet, Mark P.

PIV and Rotational Raman-Based Temperature Measurements for CFD Validation in a Single Injector Cooling Flow

Film cooling is used in a wide variety of engineering applications for protection of surfaces from hot or combusting gases. The design of more efficient thin film cooling geometries/configurations could be facilitated by an ability to accurately model and predict the effectiveness of current designs using computational fluid dynamics (CFD) code predictions. Hence, a benchmark set of flow field property data were obtained for use in assessing current CFD capabilities and for development of better turbulence models. Both Particle Image Velocimetry (PIV) and spontaneous rotational Raman scattering (SRS) spectroscopy were used to acquire high quality, spatially-resolved measurements of the mean velocity, turbulence intensity and also the mean temperature and normalized root mean square (rms) temperatures in a single injector cooling flow arrangement. In addition to flowfield measurements, thermocouple measurements on the plate surface enabled estimates of the film effectiveness. Raman spectra in air were obtained across a matrix of radial and axial locations downstream from a 68.07 mm square nozzle blowing heated air over a range of temperatures and Mach numbers, across a 30.48cm long plate equipped with a single injector cooling hole. In addition, both centerline streamwise 2-component PIV and cross-stream 3-component Stereo PIV data at 15 axial stations were collected in the same flows. The velocity and temperature data were then compared against Wind-US CFD code predictions for the same flow conditions. The results of this and planned follow-on studies will support NASA's development and assessment of turbulence models for heated flows.

Turbulence Modeling

PIV and Rotational Raman-Based Temperature Measurements for CFD Validation of a Perforated Plate Cooling Flow Part I

Film cooling is used in a wide variety of engineering applications for protection of surfaces from hotor combusting gases. The design of more efficient film cooling geometries/configurations could be facilitated by an ability to accurately model and predict the effectiveness of current designs using computational fluid dynamics (CFD) code predictions. Hence, a benchmark set of flow field property data were obtained to assess current CFD capabilities and develop better modeling approaches for these turbulent flow fields where accurate calculation of turbulent heat flux is important. Both Particle Image Velocimetry (PIV) and spontaneous rotational Raman scattering (SRS) spectroscopy were used to acquire high quality, spatially-resolved measurements of the mean and root mean square (rms) velocities as well as the mean and rms temperatures in a film cooling flow field. In addition to off-body flow field measurements, infrared thermography (IR) and thermocouple measurements on the plate surface enabled estimates of the film effectiveness. Raman spectra in air were obtained across a matrix of axial locations downstream from a 68.07 mm square nozzle blowing heated air over a range of temperatures (up to TR =2.7) and Mach numbers (up to Mach 0.9), across a 30.48 cm long plate equipped with three patches of 45 small (~1 mm) diameter cooling holes arranged in a staggered configuration. In addition, both streamwise 2-component PIV (along the plate centerline) and cross-stream 3-component Stereo PIV data at 14 axial stations were collected in the same flows. Only a subset of the data collected in the test program is included in this Part 1 report. The rest of the data will be published in a future report, Part 2, along with planned CFD predictions of the complex cooling film flow.The entire data set of Raman temperature data, PIV velocity data and IR camera data covering the Set Points 23 and 49 in the test matrix in Table 1 is available in an accompanying DVD (available online from www.sti.nasa.gov) for those interested in further analysis.

Mark P Wernet

PIV and Rotational Raman-Based Temperature Measurements for CFD Validation of a Perforated Plate Cooling Flow: Part I

Film cooling is used in a wide variety of engineering applications for protection of surfaces from hot or combusting gases. The design of more efficient film cooling geometries/configurations could be facilitated by an ability to accurately model and predict the effectiveness of current designs using computational fluid dynamics (CFD) code predictions. Hence, a benchmark set of flow field property data was obtained to assess current CFD capabilities and develop better modeling approaches for these turbulent flow fields where accurate calculation of turbulent heat flux is important. Both Particle Image Velocimetry (PIV) and spontaneous rotational Raman scattering (SRS) spectroscopy were used to acquire high quality, spatially-resolved measurements of the mean and root mean square (rms) velocities as well as the mean and rms temperatures in a film cooling flow field. In addition to off-body flow field measurements, infrared thermography (IR) and thermocouple measurements on the plate surface enabled estimates of the film effectiveness. Raman spectra in air were obtained across a matrix of axial locations downstream from a 68.07 mm square nozzle blowing heated air over a range of temperatures (up to TR = 2.7) and Mach numbers (up to Mach 0.9), across a 30.48 cm long plate equipped with three patches of 45 small (~1 mm) diameter cooling holes arranged in a staggered configuration. In addition, both streamwise 2-component PIV (on the plate centerline) and cross-stream 3-component Stereo PIV data at 14 axial stations were collected in the same flows. Only a subset of the data collected in the test program is included in this Part I report. The rest of the data will be published in a future report, Part II, along with planned CFD predictions of the complex cooling film flow. The entire data set of Raman temperature data, PIV velocity data and IR camera data covering the Set Points 23 and 49 in the test matrix in Table 1 is available in an accompanying DVD (available online from www.sti.nasa.gov) for those interested in further analysis.

Nozzle

PIV and Rotational Raman-Based Temperature Measurements for CFD Validation of a Perforated Plate Cooling Flow: Part I

Film cooling is used in a wide variety of engineering applications for protection of surfaces from hot or combusting gases. The design of more efficient film cooling geometries/configurations could be facilitated by an ability to accurately model and predict the effectiveness of current designs using computational fluid dynamics (CFD) code predictions. Hence, a benchmark set of flow field property data were obtained for use in assessing current CFD capabilities and for development of better modeling approaches for these turbulent flow fields where accurate calculation of turbulent heat flux is important. Both Particle Image Velocimetry (PIV) and spontaneous rotational Raman scattering (SRS) spectroscopy were used to acquire high quality, spatially-resolved measurements of the mean velocity, turbulence intensity as well as the mean temperature and root mean square (rms) temperatures in a film cooling flow field. In addition to off-body flow field measurements, infrared thermography (IR) and thermocouple measurements on the plate surface enabled estimates of the film effectiveness. Raman spectra in air were obtained across a matrix of axial locations downstream from a 68.07 mm square nozzle blowing heated air over a range of temperatures (up to TR = 2.7) and Mach numbers (up to M0.9), across a 30.48 cm long plate equipped with three patches of 45 small (~1 mm) diameter cooling holes arranged in a staggered configuration. In addition, both centerline streamwise 2-component PIV and cross-stream 3-component Stereo PIV data at 14 axial stations were collected in the same flows. Only a subset of the data collected in the test program is included in this Part I report and are available from the NASA STI office. The final portion of the data will be published in a future report, Part II, along with CFD predictions of the complex cooling film flow.

IR camera Measurments

PIV and Rotational Raman-Based Temperature Measurements for CFD Validation of a Perforated Plate Cooling Flow: Part 1

Film cooling is used in a wide variety of engineering applications for protection of surfaces from hot or combusting gases. The design of more efficient film cooling geometries/configurations could be facilitated by an ability to accurately model and predict the effectiveness of current designs using computational fluid dynamics (CFD) code predictions. Hence, a benchmark set of flow field property data were obtained for use in assessing current CFD capabilities and for development of better modeling approaches for these turbulent flow fields where accurate calculation of turbulent heat flux is important. Both Particle Image Velocimetry (PIV) and spontaneous rotational Raman scattering (SRS) spectroscopy were used to acquire high quality, spatially-resolved measurements of the mean velocity, turbulence intensity as well as the mean temperature and root mean square (rms) temperatures in a film cooling flow field. In addition to off-body flow field measurements, infrared thermography (IR) and thermocouple measurements on the plate surface enabled estimates of the film effectiveness. Raman spectra in air were obtained across a matrix of axial locations downstream from a 68.07 mm square nozzle blowing heated air over a range of temperatures (up to TR = 2.7) and Mach numbers (up to M0.9), across a 30.48 cm long plate equipped with three patches of 45 small (~1 mm) diameter cooling holes arranged in a staggered configuration. In addition, both centerline streamwise 2-component PIV and cross-stream 3-component Stereo PIV data at 14 axial stations were collected in the same flows. Only a subset of the data collected in the test program is included in this Part I report and are available from the NASA STI office. The final portion of the data will be published in a future report, Part II, along with CFD predictions of the complex cooling film flow.

Raman Scattering

Direct time integration of Maxwell's equations in nonlinear dispersive media for propagation and scattering of femtosecond electromagnetic solitons

The initial results for femtosecond electromagnetic soliton propagation and collision obtained from first principles, i.e., by a direct time integration of Maxwell's equations are reported. The time integration efficiently implements linear and nonlinear convolutions for the electric polarization and can take into account such quantum effects as Kerr and Raman interactions. The present approach is robust and should permit the modeling of 2D and 3D optical soliton propagation, scattering, and switching from the full-vector Maxwell's equations.

Goorjian, Peter M.

Direct time integration of Maxwell's equations in two-dimensional dielectric waveguides for propagation and scattering of femtosecond electromagnetic solitons

We present what are to our knowledge first-time calculations from vector nonlinear Maxwell's equations of femtosecond soliton propagation and scattering, including carrier waves, in two-dimensional dielectric waveguides. The time integration efficiently implements linear and nonlinear convolutions for the electric polarization, and the nonlinear convolution accounts for two quantum effects, the Kerr and Raman interactions. By retaining the optical carrier, the new method solves for fundamental quantities - optical electric and magnetic fields in space and time - rather than a nonphysical envelope function. It has the potential to provide an unprecedented two- and three-dimensional modeling capability for millimeter-scale integrated-optical circuits with submicrometer engineered inhomogeneities.

Joseph, Rose M.

Numerical Simulations of Self-Focused Pulses Using the Nonlinear Maxwell Equations

This paper will present results in computational nonlinear optics. An algorithm will be described that solves the full vector nonlinear Maxwell's equations exactly without the approximations that are currently made. Present methods solve a reduced scalar wave equation, namely the nonlinear Schrodinger equation, and neglect the optical carrier. Also, results will be shown of calculations of 2-D electromagnetic nonlinear waves computed by directly integrating in time the nonlinear vector Maxwell's equations. The results will include simulations of 'light bullet' like pulses. Here diffraction and dispersion will be counteracted by nonlinear effects. The time integration efficiently implements linear and nonlinear convolutions for the electric polarization, and can take into account such quantum effects as Kerr and Raman interactions. The present approach is robust and should permit modeling 2-D and 3-D optical soliton propagation, scattering, and switching directly from the full-vector Maxwell's equations. Abstract of a proposed paper for presentation at the meeting NONLINEAR OPTICS: Materials, Fundamentals, and Applications, Hyatt Regency Waikaloa, Waikaloa, Hawaii, July 24-29, 1994, Cosponsored by IEEE/Lasers and Electro-Optics Society and Optical Society of America

Goorjian, Peter M.

Numerical Simulations of Light Bullets, Using the Full Vector, Time Dependent, Nonlinear Maxwell Equations

This paper will present results in computational nonlinear optics. An algorithm will be described that solves the full vector nonlinear Maxwell's equations exactly without the approximations that are currently made. Present methods solve a reduced scalar wave equation, namely the nonlinear Schrodinger equation, and neglect the optical carrier. Also, results will be shown of calculations of 2-D electromagnetic nonlinear waves computed by directly integrating in time the nonlinear vector Maxwell's equations. The results will include simulations of 'light bullet' like pulses. Here diffraction and dispersion will be counteracted by nonlinear effects. The time integration efficiently implements linear and nonlinear convolutions for the electric polarization, and can take into account such quantum effects as Kerr and Raman interactions. The present approach is robust and should permit modeling 2-D and 3-D optical soliton propagation, scattering, and switching directly from the full-vector Maxwell's equations.

Goorjian, Peter M.

Numerical Simulations of Light Bullets, Using The Full Vector, Time Dependent, Nonlinear Maxwell Equations

This paper will present results in computational nonlinear optics. An algorithm will be described that solves the full vector nonlinear Maxwell's equations exactly without the approximations that we currently made. Present methods solve a reduced scalar wave equation, namely the nonlinear Schrodinger equation, and neglect the optical carrier. Also, results will be shown of calculations of 2-D electromagnetic nonlinear waves computed by directly integrating in time the nonlinear vector Maxwell's equations. The results will include simulations of 'light bullet' like pulses. Here diffraction and dispersion will be counteracted by nonlinear effects. The time integration efficiently implements linear and nonlinear convolutions for the electric polarization, and can take into account such quantum effects as Karr and Raman interactions. The present approach is robust and should permit modeling 2-D and 3-D optical soliton propagation, scattering, and switching directly from the full-vector Maxwell's equations.

Goorjian, Peter M.

Numerical Simulations of Light Bullets, Using The Full Vector, Time Dependent, Nonlinear Maxwell Equations

This paper will present results in computational nonlinear optics. An algorithm will be described that solves the full vector nonlinear Maxwell's equations exactly without the approximations that are currently made. Present methods solve a reduced scalar wave equation, namely the nonlinear Schrodinger equation, and neglect the optical carrier. Also, results will be shown of calculations of 2-D electromagnetic nonlinear waves computed by directly integrating in time the nonlinear vector Maxwell's equations. The results will include simulations of 'light bullet' like pulses. Here diffraction and dispersion will be counteracted by nonlinear effects. The time integration efficiently implements linear and nonlinear convolutions for the electric polarization, and can take into account such quantum effects as Kerr and Raman interactions. The present approach is robust and should permit modeling 2-D and 3-D optical soliton propagation, scattering, and switching directly from the full-vector Maxwell's equations.

Goorjian, Peter M.

Retrieval Studies with LIDORT

This short program of LIDORT-based research in atmospheric trace gas retrieval was conducted over the 1 year period 01 July 2002 to 30 June 2003. After consultation with the NASA reporting officer, the first of the two original proposal activities (development of a direct-fitting total O3 column retrieval algorithm with operational capability for GOME data) was replaced by other tasks. The three activities addressed were: (1) Sensitivity studies for column and profile retrieval of NO2 distributions from a new generation of multi-axis ground-based spectrometers; (2) use of the LIDORT-RRS model to determine the effect of inelastic rotational Raman scattering at SBUV wavelengths; (3) an examination of ozone profile weighting functions in the presence of optically thick tropospheric clouds.

Bhartia, P. K.

Line Interference Effects Using a Refined Robert-Bonamy Formalism: the Test Case of the Isotropic Raman Spectra of Autoperturbed N2

A symmetrized version of the recently developed refined Robert-Bonamy formalism [Q. Ma, C. Boulet, and R. H. Tipping, J. Chem. Phys. 139, 034305 (2013)] is proposed. This model takes into account line coupling effects and hence allows the calculation of the off-diagonal elements of the relaxation matrix, without neglecting the rotational structure of the perturbing molecule. The formalism is applied to the isotropic Raman spectra of autoperturbed N2 for which a benchmark quantum relaxation matrix has recently been proposed. The consequences of the classical path approximation are carefully analyzed. Methods correcting for effects of inelasticity are considered. While in the right direction, these corrections appear to be too crude to provide off diagonal elements which would yield, via the sum rule, diagonal elements in good agreement with the quantum results. In order to overcome this difficulty, a re-normalization procedure is applied, which ensures that the off-diagonal elements do lead to the exact quantum diagonal elements. The agreement between the (re-normalized) semi-classical and quantum relaxation matrices is excellent, at least for the Raman spectra of N2, opening the way to the analysis of more complex molecular systems.

nitrogen

Ferroaxial phonons in chiral and polar Ni⁢Co 2 ⁢Te⁢O 6

Perfect circular dichroism has been observed in Raman scattering by optical phonons in single chiral domain NiCo 2 TeO 6 crystals. The selection rules for optical phonons are determined by the combination of the chiral structure C and electric polarization P along the c axis. These two symmetry operations are equivalent to the ferroaxial order (C·P) = A, so the observed optical phonons are referred to as ferroaxial. For a given Raman scattering geometry, the observed effect may also be described as a perfect nonreciprocal propagation of the ferroaxial optical phonons, whose preferable q-vector direction is determined by the sign of A. Here, the combination of Raman scattering and polarization plane rotation of the transmitted white light allows for identification of the direction of electric polarization P in monodomain chiral crystals. In addition to the ferroaxial selection rules for optical phonons, a weaker ferroaxial dichroism was observed for the magnon peak at 18 cm −1 .

Altermagnets