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1. Green function estimates on complements of low-dimensional uniformly rectifiable sets

   https://doi.org/10.1007/s00208-022-02379-8  

   David, Guy ; Feneuil, Joseph ; Mayboroda, Svitlana ( March 2022 , Mathematische Annalen)

   It has been recently established in David and Mayboroda (Approximation of green functions and domains with uniformly rectifiable boundaries of all dimensions.arXiv:2010.09793) that on uniformly rectifiable sets the Green function is almost affine in the weak sense, and moreover, in some scenarios such Green function estimates are equivalent to the uniform rectifiability of a set. The present paper tackles a strong analogue of these results, starting with the “flagship degenerate operators on sets with lower dimensional boundaries. We consider the elliptic operators$$L_{\beta ,\gamma } =- {\text {div}}D^{d+1+\gamma -n} \nabla $$$L_{\beta ,\gamma }=-\text{div}{D}^{d+1+\gamma -n}\nabla$associated to a domain$$\Omega \subset {\mathbb {R}}^n$$$\Omega \subset R^n$with a uniformly rectifiable boundary$$\Gamma $$$\Gamma$of dimension$$d < n-1$$$d<n-1$, the now usual distance to the boundary$$D = D_\beta $$$D=D_{\beta }$given by$$D_\beta (X)^{-\beta } = \int _{\Gamma } |X-y|^{-d-\beta } d\sigma (y)$$$D_{\beta }{\left(X\right)}^{-\beta }={\int }_{\Gamma }{|X-y|}^{-d-\beta }d\sigma \left(y\right)$for$$X \in \Omega $$$X\in \Omega$, where$$\beta >0$$$\beta >0$and$$\gamma \in (-1,1)$$$\gamma \in (-1,1)$. In this paper we show that the Green functionGfor$$L_{\beta ,\gamma }$$$L_{\beta ,\gamma }$, with pole at infinity, is well approximated by multiples of$$D^{1-\gamma }$$$D^{1-\gamma }$, in the sense that the function$$\big | D\nabla \big (\ln \big ( \frac{G}{D^{1-\gamma }} \big )\big )\big |^2$$$|D\nabla (ln(\frac{G}{D^{1-\gamma }})){|}^2$satisfies a Carleson measure estimate on$$\Omega $$$\Omega$. We underline that the strong and the weak results are different in nature and, of course, at the levelmore »of the proofs: the latter extensively used compactness arguments, while the present paper relies on some intricate integration by parts and the properties of the “magical distance function from David et al. (Duke Math J, to appear).

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2. Plasmonically enhanced mid-IR light source based on tunable spectrally and directionally selective thermal emission from nanopatterned graphene

   https://doi.org/10.1038/s41598-020-73582-3  

   Shabbir, Muhammad Waqas ; Leuenberger, Michael N. ( October 2020 , Scientific Reports)

   We present a proof of concept for a spectrally selective thermal mid-IR source based on nanopatterned graphene (NPG) with a typical mobility of CVD-grown graphene (up to 3000$$\hbox {cm}^2\,\hbox {V}^{-1}\,\hbox {s}^{-1}$$${\text{cm}}^2{\text{V}}^{-1}{\text{s}}^{-1}$), ensuring scalability to large areas. For that, we solve the electrostatic problem of a conducting hyperboloid with an elliptical wormhole in the presence of anin-planeelectric field. The localized surface plasmons (LSPs) on the NPG sheet, partially hybridized with graphene phonons and surface phonons of the neighboring materials, allow for the control and tuning of the thermal emission spectrum in the wavelength regime from$$\lambda =3$$$\lambda =3$to 12$$\upmu$$$\mu$m by adjusting the size of and distance between the circular holes in a hexagonal or square lattice structure. Most importantly, the LSPs along with an optical cavity increase the emittance of graphene from about 2.3% for pristine graphene to 80% for NPG, thereby outperforming state-of-the-art pristine graphene light sources operating in the near-infrared by at least a factor of 100. According to our COMSOL calculations, a maximum emission power per area of$$11\times 10^3$$$11\times {10}^3$W/$$\hbox {m}^2$$${\text{m}}^2$at$$T=2000$$$T=2000$K for a bias voltage of$$V=23$$$V=23$V is achieved by controlling the temperature of the hot electrons through the Joule heating. By generalizing Planck’s theory to any grey body and derivingmore »the completely general nonlocal fluctuation-dissipation theorem with nonlocal response of surface plasmons in the random phase approximation, we show that the coherence length of the graphene plasmons and the thermally emitted photons can be as large as 13$$\upmu$$$\mu$m and 150$$\upmu$$$\mu$m, respectively, providing the opportunity to create phased arrays made of nanoantennas represented by the holes in NPG. The spatial phase variation of the coherence allows for beamsteering of the thermal emission in the range between$$12^\circ$$${12}^{\circ }$and$$80^\circ$$${80}^{\circ }$by tuning the Fermi energy between$$E_F=1.0$$$E_F=1.0$eV and$$E_F=0.25$$$E_F=0.25$eV through the gate voltage. Our analysis of the nonlocal hydrodynamic response leads to the conjecture that the diffusion length and viscosity in graphene are frequency-dependent. Using finite-difference time domain calculations, coupled mode theory, and RPA, we develop the model of a mid-IR light source based on NPG, which will pave the way to graphene-based optical mid-IR communication, mid-IR color displays, mid-IR spectroscopy, and virus detection.

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3. Evidence of a liquid–liquid phase transition in H$$_2$$O and D$$_2$$O from path-integral molecular dynamics simulations

   https://doi.org/10.1038/s41598-022-09525-x  

   Eltareb, Ali ; Lopez, Gustavo E. ; Giovambattista, Nicolas ( April 2022 , Scientific Reports)

   We perform path-integral molecular dynamics (PIMD), ring-polymer MD (RPMD), and classical MD simulations of H$$_2$$${}_2$O and D$$_2$$${}_2$O using the q-TIP4P/F water model over a wide range of temperatures and pressures. The density$$\rho (T)$$$\rho \left(T\right)$, isothermal compressibility$$\kappa _T(T)$$${\kappa }_T\left(T\right)$, and self-diffusion coefficientsD(T) of H$$_2$$${}_2$O and D$$_2$$${}_2$O are in excellent agreement with available experimental data; the isobaric heat capacity$$C_P(T)$$$C_P\left(T\right)$obtained from PIMD and MD simulations agree qualitatively well with the experiments. Some of these thermodynamic properties exhibit anomalous maxima upon isobaric cooling, consistent with recent experiments and with the possibility that H$$_2$$${}_2$O and D$$_2$$${}_2$O exhibit a liquid-liquid critical point (LLCP) at low temperatures and positive pressures. The data from PIMD/MD for H$$_2$$${}_2$O and D$$_2$$${}_2$O can be fitted remarkably well using the Two-State-Equation-of-State (TSEOS). Using the TSEOS, we estimate that the LLCP for q-TIP4P/F H$$_2$$${}_2$O, from PIMD simulations, is located at$$P_c = 167 \pm 9$$$P_c=167\pm 9$ MPa,$$T_c = 159 \pm 6$$$T_c=159\pm 6$ K, and$$\rho _c = 1.02 \pm 0.01$$${\rho }_c=1.02\pm 0.01$ g/cm$$^3$$${}^3$. Isotope substitution effects are important; the LLCP location in q-TIP4P/F D$$_2$$${}_2$O is estimated to be$$P_c = 176 \pm 4$$$P_c=176\pm 4$ MPa,$$T_c = 177 \pm 2$$$T_c=177\pm 2$ K, and$$\rho _c = 1.13 \pm 0.01$$${\rho }_c=1.13\pm 0.01$ g/cm$$^3$$${}^3$. Interestingly, for the water model studied, differences in the LLCP location from PIMD and MD simulations suggest that nuclear quantum effectsmore »(i.e., atoms delocalization) play an important role in the thermodynamics of water around the LLCP (from the MD simulations of q-TIP4P/F water,$$P_c = 203 \pm 4$$$P_c=203\pm 4$ MPa,$$T_c = 175 \pm 2$$$T_c=175\pm 2$ K, and$$\rho _c = 1.03 \pm 0.01$$${\rho }_c=1.03\pm 0.01$ g/cm$$^3$$${}^3$). Overall, our results strongly support the LLPT scenario to explain water anomalous behavior, independently of the fundamental differences between classical MD and PIMD techniques. The reported values of$$T_c$$$T_c$for D$$_2$$${}_2$O and, particularly, H$$_2$$${}_2$O suggest that improved water models are needed for the study of supercooled water.

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4. Design of crack-free laser additive manufactured Inconel 939 alloy driven by computational thermodynamics method

   https://doi.org/10.1557/s43579-022-00253-x  

   Zeng, Congyuan ; Ding, Huan ; Bhandari, Uttam ; Guo, S. M. ( September 2022 , MRS Communications)

   This paper examined the effect of Si addition on the cracking resistance of Inconel 939 alloy after laser additive manufacturing (AM) process. With the help of CALculation of PHAse Diagrams (CALPHAD) software Thermo-Calc, the amounts of specific elements (C, B, and Zr) in liquid phase during solidification, cracking susceptibility coefficients (CSC) and cracking criterion based on$$\left| {{\text{d}}T/{\text{d}}f_{{\text{s}}}^{1/2} } \right|$$$\left(\text{d}T/\text{d}{f}_{\text{s}}^{1/2}\right)$values (T: solidification temperature,f_s: mass fraction of solid during solidification) were evaluated as the indicators for composition optimization. It was found that CSC together with$$\left| {{\text{d}}T/{\text{d}}f_{{\text{s}}}^{1/2} } \right|$$$\left(\text{d}T/\text{d}{f}_{\text{s}}^{1/2}\right)$values provided a better prediction for cracking resistance.

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5. A dynamic spike threshold with correlated noise predicts observed patterns of negative interval correlations in neuronal spike trains

   https://doi.org/10.1007/s00422-022-00946-5  

   Sidhu, Robin S. ; Johnson, Erik C. ; Jones, Douglas L. ; Ratnam, Rama ( October 2022 , Biological Cybernetics)

   Negative correlations in the sequential evolution of interspike intervals (ISIs) are a signature of memory in neuronal spike-trains. They provide coding benefits including firing-rate stabilization, improved detectability of weak sensory signals, and enhanced transmission of information by improving signal-to-noise ratio. Primary electrosensory afferent spike-trains in weakly electric fish fall into two categories based on the pattern of ISI correlations: non-bursting units have negative correlations which remain negative but decay to zero with increasing lags (Type I ISI correlations), and bursting units have oscillatory (alternating sign) correlation which damp to zero with increasing lags (Type II ISI correlations). Here, we predict and match observed ISI correlations in these afferents using a stochastic dynamic threshold model. We determine the ISI correlation function as a function of an arbitrary discrete noise correlation function$${{\,\mathrm{\mathbf {R}}\,}}_k$$$R_k$, wherekis a multiple of the mean ISI. The function permits forward and inverse calculations of the correlation function. Both types of correlation functions can be generated by adding colored noise to the spike threshold with Type I correlations generated with slow noise and Type II correlations generated with fast noise. A first-order autoregressive (AR) process with a single parameter is sufficient to predict and accurately match both types of afferent ISImore »correlation functions, with the type being determined by the sign of the AR parameter. The predicted and experimentally observed correlations are in geometric progression. The theory predicts that the limiting sum of ISI correlations is$$-0.5$$$-0.5$yielding a perfect DC-block in the power spectrum of the spike train. Observed ISI correlations from afferents have a limiting sum that is slightly larger at$$-0.475 \pm 0.04$$$-0.475\pm 0.04$($$\text {mean} \pm \text {s.d.}$$$\text{mean}\pm \text{s.d.}$). We conclude that the underlying process for generating ISIs may be a simple combination of low-order AR and moving average processes and discuss the results from the perspective of optimal coding.

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