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At least 469 records · Page 26

Suppressing Polarization Mode Dispersion with the Quantum Zeno Effect

Polarization mode dispersion can introduce quantum decoherence in polarization encoded information, limiting the range of quantum communications protocols. Therefore, strategies to completely nullify the affect would reduce quantum decoherence and potentially increase the operational range of such technology. We construct a quantum model of polarization mode dispersion alongside a two-level absorbing material. The two-level material serves to destructively measure one of two orthogonal polarization modes, thus projecting the polarization onto the other state. The theoretical results are supported by a numerical simulation in Mathematica Documentation where we and compare the evolution of the polarization state with and without the absorbing material. We find that this strategy is effective in suppressing the effects of polarization mode dispersion, and that this method produces a global phase shift related the waveguide’s birefringent properties.

waveguides↗

Demonstration of INCC6 for advanced list-mode data acquisition and analysis using ALMM

The International Neutron Coincidence Counting (INCC) software plays an important role in nuclear safeguards and nuclear material control and accounting (NMC&A) measurements. While the current version, INCC5, represents the traditional standard utilized by inspectorates as well as facilities and practitioners alongside shift register hardware, LANL has recently developed an upgraded version of the software, INCC6. INCC6 offers the same analysis tools as INCC5 while adding new capabilities including acquisition and analysis of list-mode data, recording and storage of list-mode data files, and an expanded set of advanced analysis tools that make use of the additional information available from list-mode data. Here, this paper presents the first demonstration of data acquisition and analysis using INCC6 and the Advanced List Mode Multiplicity Module (ALMM). The capability of INCC6 to perform live list-mode data acquisition and analysis is demonstrated for a variety of neutron sources with a range of neutron emission rates relevant for practical applications and validated against the results obtained with INCC5 and traditional shift register hardware. Advanced list-mode analysis tools introduced by INCC6, such as time-interval and coincidence matrix analysis, are also demonstrated. Finally, the capability of INCC6 to analyze list-mode data files is tested and validated against traditional shift register results using INCC5.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Synthetic Tuning of Exciton–Phonon Coupling in Janus WS 2(1-x) Se 2x Monolayers Revealed by Resonant Raman Excitation Spectroscopy for Optoelectronic Applications

Janus monolayers, such as WSSe, have broken out-of-plane symmetry and an intrinsic dipole moment, impacting exciton transport, lifetime, and phonon interactions while imbuing piezoelectric, photocatalytic, and Rashba spin-splitting properties to transition metal dichalcogenides (TMDs). The new properties of this atomically thin material can be used for optoelectronic device applications. As TMDs are converted into Janus monolayers, e.g., top selenization of WS2 to WSSe, the bandgap and structure smoothly evolve, impacting not only the formation of excitons but also their complex interactions with different phonon modes. Resonant Raman excitation profiles (REPs) are uniquely well-suited to reveal both excitonic transitions and exciton–phonon coupling. Here, the resonant REPs of $A^{'}_{1}$ WS 2 and A 1 WSSe modes are measured to understand the strength of their coupling with the A, B, and C excitonic bands of a WS2 monolayer throughout its stepwise transformation into Janus WSSe by pulsed laser deposition (PLD) of energetic selenium species. In situ Raman spectroscopy during deposition is used to controllably prepare stable intermediate Janus structures, WS 2(1-x) Se 2x (0 ≤ x ≤ 0.5), for ex situ measurement of their resonant REPs. As x increases, REPs reveal not only pronounced excitonic bands that gradually shift toward lower photon energies but also strong, mode-selective exciton–phonon coupling. First-principles resonant Raman simulations independently predict this spectral behavior and are shown capable of matching the spectrally broadened, experimentally observed REP profiles in this model system, indicating their strong predictive capability for future experiments. The combination of controlled synthesis, REP characterization, and predictive theory employed here demonstrates a powerful pathway to understand and ultimately tune exciton–phonon interactions for future quantum optical devices.

Janus monolayers↗

Raman-shifting an ArF excimer laser to generate new lines for obtaining optical diagnostic based information in flow fields

The application of tunable excimer lasers in combustion and flow diagnostics is almost routine nowadays. The properties of this laser system that enable density and temperature measurements in supersonic and hypersonic flow fields to be conducted are its high power, high repetition rate, and high spectral brightness. The limitation imposed by this system on these measurements is the paucity of lines in the wavelength region, the vacuum-ultraviolet, where species of interest, such as OH, N2, O2, H2, H2O, CO, NO, etc., are susceptible to electronic excitation to high-lying states. To circumvent this problem one normally resorts to nonlinear optical techniques such as frequency conversion via stimulated Raman scattering (SRS), more commonly known as Raman shifting or Raman mixing, to extend these nonintrusive and nonperturbing techniques to the shorter wavelengths in the VUV region and, for that matter, to longer wavelengths in the infrared region, if the need arises. The theoretical basis of SRS and its application are well documented in the literature. In essence, the Raman shift is a consequence of the inelastic scattering of the incident radiation by the sample. Most of the scattered radiation from the molecules of the sample is unchanged in frequency. However, a small fraction of the incident radiation is changed in frequency. This shift is a result of the fact that some of the incident photons on colliding with the molecules of the sample give up some of their energy and emerge with a lower energy resulting in the lower-frequency Stokes radiation. Other incident photons may increase their energy by colliding with the vibrationally excited molecules of the medium and emerge as higher-frequency antistokes radiation. The generation of the latter is the main objective of this project. The process, however, depends on several factors, including the beam quality of the pump laser, the cross-section of the gaseous medium, the gas pressure, and the ambient temperature of the gas near the focal region. Furthermore, since the Raman shifting process is polarization sensitive, it is necessary to have all of the laser energy in a single polarization. These factors were taken into consideration in the execution of the project. The implementation of the Raman shift was accomplished by focusing the 193 nm output of an ArF excimer laser (Lamda-Physik LPX 150) into a 1-meter long high pressure recirculating Raman cell filled with H2 gas. The laser system was modified in order to improve the mode quality of the pump beam to enhance the Raman shifting. To accomplish this feat, a prism beam expander and grating on the oscillator discharge provided wavelength tuning over the excimer gain profile. Furthermore, a triple-pass configuration, as opposed to unstable resonator optics, was employed in the operation of the amplifier cavity so that when the oscillator output radiation, focused by a 51-cm focal length fused silica lens through a 50 micron pinhole (serving as a spatial filter) and recollimated with a 25-cm focal length lens, was fed into the amplifier, it was injection locked, thereby providing tunable radiation with relatively low divergence. The forward scattered radiation emanating from the impingement of the modified pump beam on the Raman cell was detected using an energy meter after the latter had been separated from it using a dispersing prism.

Koker, Edmond B.↗

Investigation of an Ultrafast Harmonic Resonant RF Kicker

An Energy Recovery Linac (ERL) based multi-turn electron Circulator Cooler Ring (CCR) is envisaged in the proposed Jefferson Lab Electron Ion Collider (JLEIC) to cool the ion bunches with high energy (55 MeV), high current (1.5 A), high repetition frequency (476.3 MHz), high quality magnetized electron bunches. A critical component in this scheme is a pair of ultrafast kickers for the exchange of electron bunches between the ERL and the CCR. The ultrafast kicker should operate with the rise and fall time in less than 2.1 ns, at the repetition rate of ~10s MHz, and should be able to run continuously during the whole period of cooling. These -and-fall time being combined together, are well beyond the state-of-art of traditional pulsed power supplies and magnet kickers. To solve this technical challenge, an alternative method is to generate this high repetition rate, fast rise-and-fall time short pulse continuous waveform by summing several finite number of (co)sine waves at harmonic frequencies of the kicking repetition frequency, and these harmonic modes can be generated by the Quarter Wave Resonater (QWR) based multifrequency cavities. Assuming the recirculator factor is 10, 10 harmonic modes (from 47.63 MHz to 476.3 MHz) with proper amplitudes and phases, plus a DC offset are combined together, a continuous short pulse waveform with the rise-and-fall time in less than 2.1 ns, repetition rate of 47.63 MHz waveform can be generated. With the compact and matured technology of QWR cavities, the total cost of both hardware development and operation can be reduced to a modest level. Focuse on the technical scheme, three main topics will be discussed in this thesis: the synthetization of the kicking pulse, the design and optimization of the deflecting QWR multi-integer harmonic frequency resonator and the fabrication and bench measurements of a half scale copper prototype. In the kicking pulse synthetization part, we begin with the Fourier Series expansion of an ideal square pulse, and get a Flat-Top waveform which will give a uniform kick over the bunch length of the kicked electron bunches, thus the transverse emittance of these kicked electron bunches can be maintained. By using two identical kickers with the betatron phase advance of 180 degree or its odd multiples, the residual kick voltage wave slopes at the unkicked bunch position will be totally cancelled out. Flat-Top waveform combined with two kicker scheme, the transverse emittance of the cooling electron bunches will be conserved during the whole injection, recirculation, and ejection processes. In the cavity design part, firstly, the cavity geometry is optimized to get high transverse shunt impedance thus less than 100 W of RF losses on the cavity wall can be achieved for all these 10 harmonic modes. To support all these 10 harmonic modes, group of four QWRs are adopted with the mode distribution of 5:3:1:1. In the multi-frequency cavities such as the five-mode-cavity and the three-mode-cavity, tunings are required to achieve the design frequencies for each mode. Slight segments of taper design on the inner conductor help to get the frequencies to be exactly on the odd harmonic modes. Stub tuners equal to the number of resonant modes are inserted to the outer conductor wall to compensate the frequency shifts due manufacturing errors and other perturbations during the operation such as the change of the cavity temperature. Single loop couple is designed for all harmonic modes in each cavity. By adjusting its loop size, position and rotation, it is possible to get the fundamental mode critical coupled and other higher harmonic modes slightly over coupled. A broadband circulator will be considered for absorbing the reflected power. Finally in this part, multipole field components due to the asymmetric cylindrical structure around the beam axis of the cavity as well as the beam-induced higher order mode (HOM) issues will be analyzed and discussed in this thesis. A half-scale copper prototype cavity (resonant frequencies from 95.26 MHz to 857.34 MHz) was fabricated to validate the electromagnetic characteristics. With this half scale prototype, the tuning processes of multiple harmonic frequencies, unloaded quality factor measurements of each mode, and bead-pull measurements are performed. The bench measurement results matched well with the simulation results, which have validated our cavity design and construction methods. Finally, a simple mode combining experiment with five separate signal generators was performed on this prototype cavity and the desired fast rise/fall time (1.2 ns), high repetition rate (95.26 MHz) waveform was captured, which finally proved our design of this ultrafast harmonic kicker.

43 PARTICLE ACCELERATORS↗

Dual-season thermal energy storage-integrated heat pump system for load shifting: experiments, modeling and nationwide analysis

Here, this paper proposes and validates a dual-season thermal energy storage-integrated heat pump (TES-HP) system that shifts building electric load in both cooling and heating modes using a single phase-change TES. The design uses the TES as a heat sink for the condenser in summer and a heat source for the evaporator in winter, thereby reducing on-peak electric demand while ensuring compatible with existing air-distribution systems. A 14-kW TES-HP prototype with six operating modes and novel refrigerant charge management strategies was experimentally tested under varied conditions. Subsequently, data-driven polynomial performance curves were developed and validated against experiments, then coupled with a phase change material (PCM) model and a calibrated building model within a rule-based controller. Single-day case studies demonstrated effective on-peak demand reduction while maintaining thermal comfort. During cooling, hourly power was lowered by up to 1.5 kW; in heating, average hourly power decreased from over 3.5 kW to 1.8 kW, compared to an HP-only system, achieving 64.5 % load shifting, and the need for resistance heating was eliminated. Seasonal simulations showed typical on-peak electricity savings of 25–35 % in cooling and 40–65 % in heating, with the largest benefits on the hottest and coldest days. Extended response-surface analysis and nationwide mapping quantified load shifting as functions of ambient and TES temperatures, revealing a seasonal trade-off in TES phase-change temperature. These results demonstrate the TES-HP system as a practical and scalable solution for grid-interactive buildings that reduces on-peak demand and electricity use while maintaining thermal comfort and enhancing grid flexibility and reliability.

Grid-interactive buildings↗

Modified gravitational wave propagation with higher modes and its degeneracies with lensing

Low-energy alternatives to General Relativity (GR) generically modify the phase of gravitational waves (GWs) during their propagation. As detector sensitivities increase, it becomes key to understand how these modifications affect the GW higher modes and to disentangle possible degeneracies with astrophysical phenomena. We apply a general formalism — the WKB approach — for solving analytically wave propagation in the spatial domain with a modified dispersion relation (MDR). We compare this WKB approach to applying a stationary phase approximation (SPA) in the temporal domain with time delays associated to the group or particle velocity. To this end, we extend the SPA to generic signals with higher modes, keeping careful track of reference phases and arrival times. We find that the WKB approach coincides with the SPA using the group velocity, in agreement with the principles of wave propagation. We then explore the degeneracies between a GW propagation with an MDR and a strongly-lensed GW in GR, since the latter can introduce a frequency-independent phase shift which is not degenerate with source parameters in the presence of higher modes. We find that for a particular MDR there is an exact degeneracy for wave propagation, unlike with the SPA for particle propagation. For the other cases, we search for the values of the MDR parameters that minimize the χ 2 and conclude that strongly-lensed GR GWs could be misinterpreted as GWs in modified gravity. As a result, future MDR constraints with higher mode GWs should include the possibility of frequency-independent phase shifts, allowing for the identification of modified gravity and strong lensing distortions at the same time.

79 ASTRONOMY AND ASTROPHYSICS↗

Variability and Trends of Aerosol Properties over Kanpur, Northern India using AERONET Data (2001-10)

Natural and anthropogenic aerosols over northern India play an important role in influencing the regional radiation budget, causing climate implications to the overall hydrological cycle of South Asia. In the context of regional climate change and air quality, we discuss aerosol loading variability and trends at Kanpur AERONET station located in the central part of the Indo-Gangetic plains (IGP), during the last decade (2001-10). Ground-based radiometric measurements show an overall increase in column-integrated aerosol optical depth (AOD) on a yearly basis. This upward trend is mainly due to a sustained increase in the seasonal/monthly averaged AOD during the winter (Dec-Feb) and post-monsoon (Oct-Nov) seasons (dominated by anthropogenic emissions). In contrast, a neutral to weak declining trend is observed during late pre-monsoon (Mar-May) and monsoon (Jun-Sep) months, mainly influenced by inter-annual variations of dust outbreaks. A general decrease in coarse-mode aerosols associated with variable dust activity is observed, whereas the statistically significant increasing post-monsoon/winter AOD is reflected in a shift of the columnar size distribution towards relatively larger particles in the accumulation mode. Overall, the present study provides an insight into the pronounced seasonal behavior in aerosol loading trends and, in general, is in agreement with that associating the findings with those recently reported by satellite observations (MODIS and MISR) over northern India. Our results further suggest that anthropogenic emissions (due mainly to fossil-fuel and biomass combustion) over the IGP have continued to increase in the last decade.

AERONET↗

Sound diffraction at wall impedance discontinuities in a circular cylinder, investigated using Wiener-Hopf technique

Rigorous solutions are presented for sound diffraction in a circular cylinder with axial discontinuities of the wall admittance (or impedance). Analytical expressions are derived for the reflection and the transmission coefficients for duct modes. The results are discussed quantitatively in the limits of small admittance shifts (delta) and of low frequencies (ka). One of the results is the low frequency behavior of the reflection coefficient R(o) sub 00 of the fundamental mode. For the mode of a hardwall duct reflected from the junction with a softwall duct, (R(o) sub oo yields - (1-square root of (ka) square root of (2/i delta)); this result is in contrast to the frequency dependence of the reflection from the open end of a hardwall duct, for which R(o) sub oo yields - 1-(ka) squared/2 .

Cho, Y. C.↗

Handling the influence of chemical shift in amplitude-modulated heteronuclear dipolar recoupling solid-state NMR

We present a theoretical analysis of the influence of chemical shifts on amplitude-modulated heteronuclear dipolar recoupling experiments in solid-state NMR spectroscopy. The method is demonstrated using the Rotor Echo Short Pulse IRrAdiaTION mediated Cross-Polarization ({sup RESPIRATION}CP) experiment as an example. By going into the pulse sequence rf interaction frame and employing a quintuple-mode operator-based Floquet approach, we describe how chemical shift offset and anisotropic chemical shift affect the efficiency of heteronuclear polarization transfer. In this description, it becomes transparent that the main attribute leading to non-ideal performance is a fictitious field along the rf field axis, which is generated from second-order cross terms arising mainly between chemical shift tensors and themselves. This insight is useful for the development of improved recoupling experiments. We discuss the validity of this approach and present quaternion calculations to determine the effective resonance conditions in a combined rf field and chemical shift offset interaction frame transformation. Based on this, we derive a broad-banded version of the {sup RESPIRATION}CP experiment. The new sequence is experimentally verified using SNNFGAILSS amyloid fibrils where simultaneous {sup 15}N → {sup 13}CO and {sup 15}N → {sup 13}C{sub α} coherence transfer is demonstrated on high-field NMR instrumentation, requiring great offset stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Chip-Scale Oscillation-Mode Optomechanical Inertial Sensor Near the Thermodynamical Limits

Modern navigation systems integrate the global positioning system (GPS) with an inertial navigation system (INS), which complement each other for correct attitude and velocity determination. Here, the core of the INS integrates accelerometers and gyroscopes used to measure forces and angular rate in the vehicular inertial reference frame. With the help of gyroscopes and by integrating the acceleration to compute velocity and distance, precision and compact accelerometers with sufficient accuracy can provide small–error location determination. Solid–state implementations, through coherent readout, can provide a platform for high performance acceleration detection. In contrast to prior accelerometers using piezoelectric or capacitive readout techniques, optical readout provides narrow–linewidth high–sensitivity laser detection along with low–noise resonant optomechanical transduction near the thermodynamical limits. Here an optomechanical inertial sensor with an 8.2 µg Hz –1/2 velocity random walk (VRW) at an acquisition rate of 100 Hz and 50.9 µg bias instability is demonstrated, suitable for applications, such as, inertial navigation, inclination sensing, platform stabilization, and/or wearable device motion detection. Driven into optomechanical sustained–oscillation, the slot photonic crystal cavity provides radio–frequency readout of the optically–driven transduction with an enhanced 625 µg Hz –1 sensitivity. Measuring the optomechanically–stiffened oscillation shift, instead of the optical transmission shift, provides a 220× VRW enhancement over pre–oscillation mode detection.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Identification of site-specific isotopic labels by vibrational spectroscopy in the electron microscope

The identification of isotopic labels by conventional macroscopic techniques lacks spatial resolution and requires relatively large quantities of material for measurements. We recorded the vibrational spectra of an α amino acid, l -alanine, with damage-free “aloof” electron energy-loss spectroscopy in a scanning transmission electron microscope to directly resolve carbon-site–specific isotopic labels in real space with nanoscale spatial resolution. An isotopic red shift of 4.8 ± 0.4 milli–electron volts in C–O asymmetric stretching modes was observed for 13 C-labeled l -alanine at the carboxylate carbon site, which was confirmed by macroscopic infrared spectroscopy and theoretical calculations. The accurate measurement of this shift opens the door to nondestructive, site-specific, spatially resolved identification of isotopically labeled molecules with the electron microscope.

74 ATOMIC AND MOLECULAR PHYSICS↗

Methods for diagnosing and quantifying double pulsing in a Uranium Neutron Collar system using shift register logic

Double pulsing in neutron coincidence counters is the result of a pulse processing chain-3He proportional counter timing incompatibility known to nondestructive assay system designers. It is not currently widely acknowledged, or accounted for, in the user community. However, it is gaining attention as list mode data acquisition and analysis becomes more commonly used for system diagnostics, revealing features that have been overlooked by historic timing gate selection using traditional shift register data acquisition methods. Double pulsing increases the apparent number of measured neutron events from a source. Therefore, it may contribute to a falsely increased count rate if present at the operational high voltage used when assaying samples, even with set predelays. The authors have previously studied the effects of double pulsing, using list mode data acquisition and analysis on neutron pulse trains in three common neutron coincidence counting systems used in routine measurements for international safeguards: a Canberra Industries JCC-71 Neutron Coincidence Collar, a variant on the Canberra Industries JCC-51 Active Well Neutron Coincidence Counter (the Large Volume Active Well Neutron Coincidence Counter), and an AnTech Inc. N2071 Neutron Coincidence Collar. We find that this non-ideal behavior was isolated to the Amptek A111 Charge Sensitive Preamplifier & Discriminator chip used in both the Canberra Industries and Antech systems. The double pulsing fraction was calculated in post-analysis for various high voltage settings in these A111-based systems, assuming no predelay settings. In this work, the authors expand upon this identification and analysis to make it more translatable between list mode data acquisition and analysis and shift register-based analysis. By investigating the double pulsing fractions in a JCC-71 Uranium Neutron Collar as a function of predelay settings, as well as describing and performing alternative tests and analyses to diagnose and quantify the double pulsing using shift register logic, this work hopes to complete the picture of double pulsing identification and analysis.

Safeguards↗

Low-frequency Raman signature of Ag-intercalated few-layer MoS 2

Density functional theory based calculations and experimental analysis on a limited number of real samples are performed to study how the presence of silver intercalated in the van der Waals gap of few-layer MoS 2 affects the low-frequency Raman active modes of this material. Silver is found to predominantly affect the breathing-like and shear-like vibrational modes of MoS 2 . These modes correspond to quasi-rigid movements of each individual layer with a restoring force (and, in turn, frequency) that is determined by modulations in the weak interlayer interactions. Noticeable red-shifts with increasing Ag concentration are found for all low-frequency modes. This finding indicates the potential for low-frequency vibrations as useful gauges for practical determination of silver concentration using low-frequency Raman spectroscopy. Finally, this work also describes a semi-classical linear chain model that allows to extrapolate results to a large number of layers. Further, first-principles calculations show how Raman spectroscopy can be used to characterize the quality of the two-dimensional interface between MoS 2 and a silver substrate.

36 MATERIALS SCIENCE↗

Numerical investigation of multichannel laser beam phase locking in turbulent atmosphere

The efficiency of coherent multichannel beam combining under focusing through a turbulent medium on a target in the cases of phase conjugation and target irradiation in the feedback loop is investigated numerically in various approximations. The conditions of efficient focusing of multichannel radiation on the target are found. It is shown that the coherent beam combining with target irradiation in the feedback loop, which does not require a reference beam and wavefront measurements, is as good as the phase conjugation approach in the efficiency of focusing. It is found that the main effect of focusing is provided by properly chosen phase shifts in the channels, whereas taking into account local wavefront tip tilts weakly affects the result. (control of laser radiation parameters)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A comparative study of rapidly and slowly rotating dynamical regimes in a terrestrial general circulation model

As a preliminary step in the development of a general circulation model for general planetary use, a simplified vesion of thef GISS Model I GCM has been run at various rotation periods to investigate differences between the dynamical regimes of rapidly and slowly rotating planets. To isolate the dynamical processes, the hydrologic cycle is suppressed and the atmosphere is forced with perpetual annual mean solar heating. All other parameters except the rotation period remain fixed at their terrestrial values. Experiments were conducted for rotation periods of 2/3, 1, 2, 4, 8, 16, 64 and 256 days. The results are in qualitative agreement with similar experiments carried out previously with other GCMs and with certain aspects of one Venus GCM simulation. As rotation rate decreases, the energetics shifts from baroclinc to quasi-barotropic when the Rossby radius of deformation reaches planetary scale. The Hadley cell expands poleward and replaces eddies as the primary mode of large-scale heat transport. Associated with this is a poleward shift of the baroclinic zone and jet stream and a reduction of the equator-pole temperature contrast. Midlatitude jet strength peaks at 8 days period, as does the weak positive equatorial zonal wind which occurs at upper levels at all rotation periods. Eddy momentum transport switches from poleward to equatorward at the same period. Tropospheric mean static stability generally increases in the tropics and decreases in midlatitudes as rotation rate decreases, but the global mean static stability is independent of rotation rate. The peak in the eddy kinetic energy spectrum shifts toward lower wavenumbers, reaching wavenumber 1 at a period of 8 days. Implications of these results for the dynamics of Venus and Titan are discussed. Specifically, it is suggested that the extent of low-level convection determines whether the Gierasch mechanism contributes significantly to equatorial superrotation on these planets.

Del Genio, Anthony D.↗

Cosolvent-tuned interactions in ionic liquids: A vibrational and quantum-chemical study of ethylene glycol ratio effects

Ionic liquids (ILs) are attractive media for CO 2 capture but remain limited by viscosity and cost. Blending ILs with ethylene glycol (EG) is a practical route to mitigate these constraints, yet the molecular origins of cosolvent effects and their dependence on composition are not well resolved. We combine Fourier-transform infrared (FT-IR) spectroscopy with quantum-chemical (DFT) analysis to elucidate how the IL:EG molar ratio modulates intermolecular interactions and electronic structure. Computed vibrational frequencies enable mode assignment and deconvolution of overlapping bands, revealing systematic, ratio-dependent shifts and broadenings in (i) EG O–H stretching, (ii) cation and EG C–H stretchings (imidazolium C2–H, C4–H, C5–H, methyl and ethyl groups, -CH2 of EG), (iii) anion signature modes (e.g., CN motifs), and (iv) EG C–O and C–C stretchings, consistent with the redistribution of hydrogen-bonding networks. Molecular electrostatic potential (MESP) maps quantify attenuation of extreme potential regions with increasing EG, indicating progressive screening of cation–anion electrostatic interactions. Quantum Theory of Atoms in Molecules (QTAIM) identifies emergent bond critical points between EG and the IL ions, while Reduced Density Gradient–Noncovalent Interaction (RDG–NCI) analysis differentiates strong directional hydrogen bonds from dispersive contacts across compositions. Together, these results show that EG fraction controls a switch from predominantly ion–ion to mixed ion–EG coordination, altering local polarity and polarizability that underlie the observed FT-IR trends. The framework provides composition–structure–spectrum relationships that can guide rational selection of IL:EG ratios to balance favorable molecular interactions with practical performance targets in scalable CO 2 capture systems.

DAC↗

Hybridization-driven strong anharmonicity in Yb-filled skutterudites

A high-pressure study of the structural and thermal transport properties is carried out on one of the most efficient filled skutterudites, $\mathrm{Yb_{0.3}Co_4Sb_{12}}$, to understand the relatively low thermal conductivity behavior in this family. By combining x-ray diffraction and Raman scattering measurements, we detect a phase transition at around 12.4 GPa. The mode Grüneisen parameters of the observed phonon modes are obtained from the determined bulk modulus and the phonon frequency shifts with pressure. The strong anharmonicity in this material is demonstrated by the obtained large average Grüneisen parameter. We also find the depressed group velocity within the low-frequency range, the flat guest mode avoided crossing with the acoustic-phonon mode, and the significant contribution of optical phonons. The hybridization of the guest atom and host lattice and the related enhanced anharmonicity are suggested to account for the low lattice thermal conductivity in the studied system. So, these findings provide new insight into how phonon-phonon interactions lower lattice thermal conductivity in this important thermoelectric family.

36 MATERIALS SCIENCE↗