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UV-vis polarized visible attenuated total reflectance (p-ATR) and Förster Resonance Energy Transfer (FRET) measurements are used to determine the orientation of molecules in metal ion linked multilayers.
Traffic congestion is a serious problem in the US, and traffic signal control is one of the effective solutions to congestion. Previous research on model predictive control (MPC)-based traffic signal control showed substantial benefits over conventional methods. This study focused on implementing MPC over a large-scale network with complex intersections and the impact of cycle length, network size, and imperfect state estimation on performances. This study implemented a virtual phase link (VPL)-based model predictive control method which used the number of vehicles in each VPL as input state variables and was suitable for National Electrical Manufacturing Association (NEMA) ring-barrier control. To test the impact of network size, the performance of distributed MPC (36 intersections in the network are divided into five subnetworks) was compared with that of MPC over the full network for a set of cycle lengths. To test the impact of imperfect state estimation, we synthetically infused estimation error and developed two scenarios, MPC-error and MPC-error narrow, which had higher and lower estimation errors, respectively. The performance of these MPC methods was compared with that of the existing time-of-day (TOD) method and an offline method that used Webster's method for split and MULTIBAND for cycle length and offset optimization. Trajectory and linkwise signal performance measures were collected from the simulation to evaluate performance. The distributed MPC method with perfect state estimation had the lowest delay and highest energy efficiency of all the methods. The performance of MPC decreased as the prediction inaccuracy increased. MPC-error had 7% and 11% more delay than MPC-error narrow in the morning and evening peaks, respectively. Overall, simulation results suggest that even with imperfect state estimation, MPC methods will outperform offline methods significantly.
We have studied two regioisomeric terrylenediimide (TDI) dimers in which the 1-positions of two TDIs are linked via 1,3- or 1,4-phenylene spacers, mTDI 2 and pTDI, respectively. The nature and the dynamics of the multiexciton state are tuned by altering the through-bond electronic couplings in the ground and excited states and by changing the solvent environment. Our results show that controlling the electronic coupling between the two chromophores by an appropriate choice of linker can result in independent triplet state formation, even though the initial correlated triplet pair state is confined to a dimer. Moreover, even in polar solvents, if the electronic coupling is strong, the correlated triplet pair state is observed prior to symmetry-breaking charge separation. These results point out the close relationship between the singlet, correlated triplet pair, and charge transfer states in molecular dimers.
Modification to the law of the wall represented by a dimensionless correction function ϕ RSL (z/h) is derived using atmospheric turbulence measurements collected at two sites in the Amazon in near-neutral stratification, where z is the distance from the forest floor and h is the mean canopy height. The sites are the Amazon Tall Tower Observatory for z/h∈ [1,2.3] and the Green Ocean Amazon (GoAmazon) site for z/h∈ [1,1.4]. Here, a link between the vertical velocity spectrum E ww (k) (k is the longitudinal wavenumber) and ϕ RSL is then established using a co-spectral budget (CSB) model interpreted by the moving-equilibrium hypothesis. The key finding is that ϕ RSL is determined by the ratio of two turbulent viscosities and is given as ν t,BL /ν t,RSL, where ν t,RSL = (1/A)∫$^{∞}_{0}$ τ(k)E ww (k)dk, ν t,BL = k v (z−d)u * , τ(k) is a scale-dependent decorrelation time scale between velocity components, A = C R /(1−C I ) = 4.5 is predicted from the Rotta constant C R = 1.8, and the isotropization of production constant C I = 3/5 given by rapid distortion theory, k v is the von Kármán constant, u * is the friction velocity at the canopy top, and d is the zero-plane displacement. Because the transfer of energy across scales is conserved in E ww (k) and is determined by the turbulent kinetic energy dissipation rate (ε), the CSB model also predicts that ϕ RSL scales with L BL /L d , where L BL is the length scale of attached eddies to z = d, and L d = u$_{*}^{3}$/ε is a macro-scale dissipation length.
A unified theory is presented for finite-temperature many-body perturbation expansions of the anharmonic vibrational contributions to thermodynamic functions, i.e., the free energy, internal energy, and entropy. The theory is diagrammatically size-consistent at any order, as ensured by the linked-diagram theorem proved in this study, and, thus, applicable to molecular gases and solids on an equal footing. It is also a basis-set-free formalism, just like its underlying Bose–Einstein theory, capable of summing anharmonic effects over an infinite number of states analytically. It is formulated by the Rayleigh–Schrödinger-style recursions, generating sum-over-states formulas for the perturbation series, which unambiguously converges at the finite-temperature vibrational full-configuration-interaction limits. Two strategies are introduced to reduce these sum-over-states formulas into compact sum-over-modes analytical formulas. One is a purely algebraic method that factorizes each many-mode thermal average into a product of one-mode thermal averages, which are then evaluated by the thermal Born–Huang rules. Canonical forms of these rules are proposed, dramatically expediting the reduction process. The other is finite-temperature normal-ordered second quantization, which is fully developed in this study, including a proof of thermal Wick’s theorem and the derivation of a normal-ordered vibrational Hamiltonian at finite temperature. The latter naturally defines a finite-temperature extension of size-extensive vibrational self-consistent field theory. These reduced formulas can be represented graphically as Feynman diagrams with resolvent lines, which include anomalous and renormalization diagrams. Two order-by-order and one general-order algorithms of computing these perturbation corrections are implemented and applied up to the eighth order. The results show no signs of Kohn–Luttinger-type nonconvergence.
Understanding and quantifying the morphology of nanoparticles are essential for linking their atomic structure to diverse applications and verifying theoretical models. While experimental information on the structure of nanoparticles in the size range below ∼5 nm can be extracted from x-ray absorption spectroscopy using a small number of descriptors—most commonly coordination numbers—developing an understanding of morphology descriptors from experimental data remains a challenge. Here, in this study, we introduce NanoGene, a genetic algorithm-based method for generating structurally diverse nanoparticle models guided by user-defined descriptors. We establish correlations among structural, size-related, and morphological descriptors and demonstrate how experimentally accessible parameters, such as coordination numbers, can be leveraged to infer otherwise inaccessible ones, such as the generalized coordination number or particle oblateness. Principal component and clustering analyses reveal the relative importance of descriptors, with the number of atoms emerging as a key discriminant of the nanoparticle structure. By providing both the methodology and an extensive dataset of nanoparticle geometries, this work offers a practical foundation for descriptor-based analysis and interpretation of experimental observations, bridging the gap between local atomic coordinates and global morphological characterization.
Significance Microbes regulate nutrient flux and carbon storage within ecosystems, making them essential to the global carbon cycle and ecosystem responses to climate change. Understanding how climate change will alter microbial communities and how this will feed back to influence the pace of climate change requires linking processes across levels of organization, from individual organisms to whole ecosystems. We show that the physical characteristics (traits) of protist species influence how their populations will respond to changes in temperature. These species-level temperature responses also alter the composition, dynamics, and functioning of whole microbial communities. Using traits to understand how complex, multilevel microbial processes change with temperature can help us anticipate possible consequences of rapid global climate change.
Unlike inorganic nanoparticles, organic nanoparticles (oNPs) offer the advantage of “interior tailorability,” thereby enabling the controlled variation of physicochemical characteristics and functionalities, for example, by incorporation of diverse functional small molecules. In this study, a unique inimer-based microemulsion approach is presented to realize oNPs with enhanced control of chemical and mechanical properties by deliberate variation of the degree of hyperbranching or cross-linking. The use of anionic cosurfactants led to oNPs with superior uniformity. Benefitting from the high initiator concentration from inimer and preserved chain-end functionality during atom transfer radical polymerization (ATRP), the capability of oNPs as a multifunctional macroinitiator for the subsequent surface-initiated ATRP was demonstrated. This facilitated the synthesis of densely tethered poly(methyl methacrylate) brush oNPs. Detailed analysis revealed that exceptionally high grafting densities (~1 nm −2 ) were attributable to multilayer surface grafting from oNPs due to the hyperbranched macromolecular architecture. The ability to control functional attributes along with elastic properties renders this “bottom-up” synthetic strategy of macroinitiator-type oNPs a unique platform for realizing functional materials with a broad spectrum of applications.
The synthesis and characterisation of two series of cyanobiphenyl-based liquid crystal dimers containing sulfur links between the spacer and mesogenic units, the 4'-[1,ω-alkanediylbis(thio)]bis-[1,1'-biphenyl]-4-carbonitriles (CBS n SCB), and 4'-({ω-[(4'-cyano[1,1'-biphenyl]-4-yl)oxy]alkyl}thio)[1,1'-biphenyl]-4-carbonitriles (CBS n OCB) are described. The odd members of both series show twist-bend nematic and nematic phases, whereas the even members exhibit only the nematic phase. An analogous cyanoterphenyl-based dimer, 3 4 -{6-[(4'-cyano[1,1'-biphenyl]-4-yl)thio]-hexyl}[1 1 ,2 1 :2 4 ,3 1 -terphenyl]-1 4 -carbonitrile (CT6SCB), is also reported and shows enantiotropic N TB and N phases. The transitional properties of these dimers are discussed in terms of molecular curvature, flexibility and biaxiality. The same molecular factors also influence the birefringence of nematic phases. Resonant X-ray scattering studies of the twist-bend nematic phase at both the carbon and sulfur absorption edges were performed, which allowed for the determination of critical behaviour of the helical pitch at the transition to the nematic phase, the behaviour was found to be independent of molecular structure. It was also observed that despite the different molecular bending angle and flexibility, in all compounds the helical pitch length far from the N-N TB transition corresponds to 4 longitudinal molecular distances.
Understanding the physics of low-confinement (L-), improved-confinement (I-), and high-confinement (H-) modes is critical for fusion reactors. The finding herein reports observations of two types of turbulence coexisting near the L-mode edge, one magnetohydrodynamic (MHD)-like and another micro-tearing mode (MTM)-like, linked to the H-mode and I-mode confinement in the DIII-D tokamak. Ion-scale magnetic and density turbulence is measured using a Faraday-effect radial-interferometer-polarimeter and beam-emission-spectroscopy (BES). Broadband turbulence spectra of up to ~600 kHz are observed in two discharges where transitions between L-mode, I-mode, and H-mode occurs. Turbulence is found to be inversely correlated with confinement, meaning lower turbulence power at higher confinement. Distinctively, the high-frequency (HF, >~100 kHz) magnetic turbulence power changes by the most (55%) during transitions primarily involving energy confinement change, whereas the low-frequency (LF, <~100 kHz) magnetic and density turbulence power changes by the most (80%) during transitions primarily involving particle confinement change. The LF turbulence amplitude oscillates with and leads to deuterium-alpha emission oscillations before an H-mode. These results imply that HF turbulence mainly affects energy confinement whereas LF turbulence can affect particle confinement. The magnetic and density turbulence exhibits coherence up to 0.6 and cross-phase magnitude close to π/2 in most cases, suggesting they have a common origin in both the LF and HF ranges. BES suggests that LF turbulence resides at the edge (ρ = 0.95) and HF turbulence can be at the outer core (ρ = 0.8) or edge (ρ = 0.95). Comparisons of measurements, theory, and gyrokinetic simulations suggest that HF turbulence is MTM-like in all cases, whereas LF turbulence is more consistent with MHD-like modes and the exact instability might change during transitions—except that a drift-wave origin is possible in a low collisionality H-mode. These results suggest that the H-mode involves suppressed MHD-like turbulence, whereas the I-mode mitigates MTM-like turbulence along with largely unchanged MHD-like turbulence.
ABSTRACT Bars are common in low-redshift disc galaxies, and hence quantifying their influence on their host is of importance to the field of galaxy evolution. We determine the stellar populations and star formation histories of 245 barred galaxies from the Mapping Nearby Galaxies at APO (MaNGA) galaxy survey, and compare them to a mass- and morphology-matched comparison sample of unbarred galaxies. At fixed stellar mass and morphology, barred galaxies are optically redder than their unbarred counterparts. From stellar population analysis using the full spectral fitting code starlight, we attribute this difference to both older and more metal-rich stellar populations. Dust attenuation however, is lower in the barred sample. The star formation histories of barred galaxies peak earlier than their non-barred counterparts, and the galaxies build up their mass at earlier times. We can detect no significant differences in the local environment of barred and unbarred galaxies in this sample, but find that the H i gas mass fraction is significantly lower in high-mass ($\rm {M}_{\star } \gt 10^{10}~\rm {M}_{\odot }$) barred galaxies than their non-barred counterparts. We speculate on the mechanisms that have allowed barred galaxies to be older, more metal-rich and more gas-poor today, including the efficient redistribution of galactic fountain byproducts, and a runaway bar formation scenario in gas-poor discs. While it is not possible to fully determine the effect of the bar on galaxy quenching, we conclude that the presence of a bar and the early cessation of star formation within a galaxy are intimately linked.
ABSTRACT Using data from SDSS, UKIDSS, and WISE, we investigate the properties of the high-frequency cutoff to the infrared emission in ≃5000 carefully selected luminous (Lbol ∼ 1047) type 1 quasars. The strength of ≃2 μm emission, corresponding to emission from the hottest ($T\gt 1200\rm \, K$) dust in the sublimation zone surrounding the central continuum source, is observed to correlate with the blueshift of the C iv λ1550 emission line. We therefore find that objects with stronger signatures of nuclear outflows tend to have a larger covering fraction of sublimation-temperature dust. When controlling for the observed outflow strength, the hot dust covering fraction does not vary significantly across our sample as a function of luminosity, black hole mass, or Eddington fraction. The correlation between the hot dust and the C iv line blueshifts, together with the lack of correlation between the hot dust and other parameters, therefore provides evidence of a link between the properties of the broad emission line region and the infrared-emitting dusty regions in quasars.
The long-time existence of topologically nontrivial configurations of quantum vortices in the form of torus knots and links in trapped Bose-Einstein condensates is demonstrated numerically within the three-dimensional Gross-Pitaevskii equation with an external anisotropic parabolic potential. We identify here parametric domains of trap anisotropy, characterized by the axial over planar frequency ratio ${\lambda}{\approx}1.5-1.6$, where the lifetime of such quasistationary rotating vortex structures is many hundreds of typical rotation times. This suggests the potential experimental observability of the structures. We quantify the relevant lifetimes as a function of the model parameters (e.g., ${\lambda}$) and initial condition parameters of the knot profile.
Here, we present a neutron vibrational spectroscopy study to investigate the influence of NH$^+_4$ motion on the magnetism in [(NH 4 ) 1–x K x ] 2 [FeCl 5 (H 2 O)]. The parent compounds, (NH 4 ) 2 [FeCl 5 (H 2 O)] (x = 0) and K 2 [FeCl 5 (H 2 O)](x = 1) are isostructural at room temperature, yet displaying drastically different magnetic and multiferroic behavior. K 2 [FeCl 5 (H 2 O)] is nonmultiferroic with type-A collinear antiferromagnetic structure below T N ≈ 14.06 K, whereas (NH 4 ) 2 [FeCl 5 (H 2 O)] is a type-II multiferroic with incommensurate cycloidal spin structure below T FE ≈ 6.8 K. A recent study of the dielectric, structure, and magnetic properties in the mixed [(NH 4 ) 1–x K x ] 2 [FeCl 5 (H 2 O)] shows that a small amount of potassium substitution to replace NH$^+_4$ transforms the spin structure from incommensurate cycloidal (x ≤ 0.06) into commensurate collinear antiferromagnetic (x ≥ 0.15), indicating NH$^+_4$ is essential to the emergent phenomena observed in this molecular multiferroic compound. Our vibrational spectroscopy study reveals that NH$^+_4$ libration and torsion motion exhibit substantial temperature dependence at low temperatures. The intensity of NH$^+_4$ libration and torsion modes increases slightly at 5 K in comparison with data at 25 K behaving like a magnon, indicating that they are coupled to the magnetism in (NH 4 ) 2 [FeCl 5 (H 2 O)]. Comparing data of x=0, 0.06, 0.09, and 0.15 samples further illustrates that the strength of the increased signal in NH$^+_4$ libration mode is very sensitive to potassium concentration. The signal diminishes quickly with increasing potassium concentration and vanishes in the x = 0.15 sample corresponding to the magnetic structure change for x ≥ 0.15. The results directly link the anomalous behavior in NH$^+_4$ libration motion to the magnetism in [(NH 4 ) 1–x K x ] 2 [FeCl 5 (H 2 O)], providing new insights into the crucial role NH$^+_4$ plays in the coupled phenomena in (NH 4 ) 2 [FeCl 5 (H 2 O)]. The unique information opens a new door to go through in searching for new multifunctional materials by incorporation of NH 4 via a material-by-design approach.
The ability to design crystal lattices with specific sublattice geometries has long been sought after especially in the context of harnessing magnetic frustration to elicit emergent physics. One approach which has seen some success recently is to design magnetic sublattices chemically through the use of nonmagnetic linker ligands as scaffolding for the magnetic ions. In this work we report the magnetic properties of one such family of materials, the transition metal (TM) selenite hydrates with chemical formula TM 3 (SeO 3 ) 3 H 2 O. These materials link highly distorted TMO 6 octahedra via nonmagnetic [SeO 3 ] 2+ linkers. Studying members with TM = Mn, Co, and Ni we use magnetic susceptibility and neutron powder diffraction to identify antiferromagnetic order in all three compounds with moderate frustration indexes. A comparison of the magnetic structures suggests that while the overall structure of the SeO 3 scaffolding remains unchanged the TM effects changes in the magnetic properties through tuning the internal bonding parameters and the single-ion physics. Changing from Mn to Co is found to be particularly consequential manifesting changes in both the ordered-moment direction and in the direction of the ordering vector. Field-dependent measurements of the susceptibility and heat capacity reveal metamagnetic transitions in both Mn 3 (SeO 3 ) 3 H 2 O and Co 3 (SeO 3 ) 3 H 2 O indicating nearby magnetic ground states accessible under relatively small applied fields. Density functional theory calculations broadly confirm these results, showing both a sensitivity of the magnetic structure to the TM and its local environment. Although no spin liquid behavior is achieved, these results suggest the fruitfulness of such synthesis philosophies and encourage future work to engender higher frustration in these materials via doping, field, pressure, or larger linker ligands.
The quasi-one-dimensional Chevrel phases, A 2 M o6 Se 6 (A=Tl, In, K, Rb, Cs), are of interest due to their atypical electronic properties. The Tl and In analogs undergo a superconducting transition whereas the alkali metal analogs show charge gapping of another, not well understood type. Here we report the results of inelastic neutron scattering on polycrystalline In 2 Mo 6 Se 6 (T c =2.85 K) and Rb 2 Mo 6 Se 6 (nonsuperconducting) samples, which reveal a column of intensity with linear dispersion from [0 0 1/2] to [0 0 1] in both compounds. The observed temperature and |Q| independence together suggest the presence of unconventional carriers with a spin contribution to the excitation. This is contrary to the prevailing model for these materials, which is that they are nonmagnetic. The excitation has similar dispersion and S(Q,E,T) behavior as one observed in the structurally related superconducting compounds A 2 Cr 3 As 3 and A 2 Mo 3 As 3 (A=K, Rb, Cs), which has been interpreted as magnetic in origin and related to Fermi surface nesting. The connection is unexpected because the calculated Fermi surface of the arsenides differs substantially from the A 2 Mo 6 Se 6 compounds, and many consider them distinct classes of materials. This observation suggests a hidden link in the physics between both classes of superconductors, perhaps originating from their quasi-low-dimensional character.
A high frequency AC link isolated three port semi-bridgeless resonant converter is analyzed for unmanned aerial vehicle (UAV) applications in this study. The proposed topology is established by replacing rectifier lover diodes with synchronous switches. A phase shifted pulse width modulation (PS-PWM) technique adjusts bi-directional power flow between ports. Proposed control technique provides high efficiency by reducing switching losses with zero voltage switching (ZVS) and zero current switching (ZCS) in a wide power range regulation. Compared to integrated PWM converters in a bi-directional mode, the proposed topology reduces the number of converter stages and allows centralized control at high operating frequency. Theoretical and experimental results demonstrate the feasibility and effectiveness of the proposed converter at a full power of 500 W in laboratory conditions.
Two three-phase interleaved inverters have been used in traction drive applications to reduce the current stress in a DC link capacitor bank. In such applications, either carrier-based or space vector modulation is used to select the optimum switching sequences, and the results show 50% less capacitor current than that of a single three-phase inverter. The switching state selection process for this inverter is tedious, and there has been no research to find the optimal switching state. To overcome this challenge, this research employed a simple finite set model predictive control to select the optimum switching sequence for a dual three-phase interleaved topology, called a segmented inverter. The results show that the predictive control algorithm can provide a simple solution and can reduce the current stress by 27% compared with traditional modulation techniques for the segmented inverters.