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Effective field theory of stochastic diffusion from gravity

Planar black holes in AdS have long-lived quasinormal modes which capture the physics of charge and momentum diffusion in the dual field theory. How should we characterize the effective dynamics of a probe system coupled to the conserved currents of the dual field theory? Specifically, how would such a probe record the long-lived memory of the black hole and its Hawking fluctuations? We address this question by exhibiting a universal gauge invariant framework which captures the physics of stochastic diffusion in holography: a designer scalar with a gravitational coupling governed by a single parameter, the Markovianity index. We argue that the physics of gauge and gravitational perturbations of a planar Schwarzschild-AdS black hole can be efficiently captured by such designer scalars. We demonstrate that this framework allows one to decouple, at the quadratic order, the long-lived quasinormal and Hawking modes from the short-lived ones. It furthermore provides a template for analyzing fluctuating open quantum field theories with memory. In particular, we use this set-up to analyze the diffusive Hawking photons and gravitons about a planar Schwarzschild-AdS black hole and derive the quadratic effective action that governs fluctuating hydrodynamics of the dual CFT. Along the way we also derive results relevant for probes of hyperscaling violating backgrounds at finite temperature.

79 ASTRONOMY AND ASTROPHYSICS↗

The utility of diffusion-weighted imaging in improving the sensitivity of LI-RADS classification of small hepatic observations suspected of malignancy

Purpose: We investigated the added value of diffusion-weighted imaging (DWI)/apparent diffusion coefficient (ADC) in the categorization of small hepatic observation (≤ 20 mm) detected in patients with chronic liver disease in reference to LI-RADS (liver imaging reporting and data system) classification system. Methods: We prospectively evaluated 165 patients with chronic liver disease with small hepatic observations (≤ 20 mm) which were previously categorized as LI-RADS grade 3–5 on dynamic contrast-enhanced CT (DCE-CT). All patients were submitted to a functional MRI including DCE and DWI. Using LI-RADS v2017, two radiologists independently evaluated the observations and assigned a LI-RADS category to each observation using DCE-MRI alone and combined DCE-MRI and DWI/ADC. In the combined technique, the radiologists assigned a LI-RADS category based on a modified LI-RADS criteria in which restricted diffusion on DWI was considered a major feature of HCC. We evaluated the inter-reader agreement with Kappa statistics and compared the diagnostic performance of the LI-RADS with two imaging techniques by Fisher’s exact test using histopathology as the reference standard. Results: Combined technique in LI-RADS yielded better sensitivities (reader 1, 97% [65/67]; reader 2, 95.5% [64/67]) for HCC diagnosis than DCE-MRI alone (reader 1, 80.6% [54/67], p = 0.005; reader 2, 83.6% [56/67], p = 0.04). The specificities were insignificantly lower in combined technique (reader 1, 88.4% [107/121]; reader 2, 77.7% [94/121]) than in DCE-MRI alone (reader 1, 90.9% [110/121], p = 0.67; reader 2, 79.3% [96/121], p = 0.88). The inter-reader agreement of the LI-RADS scores between combined technique and DCE-MRI was good (κ = 0.765). Conclusion: The use of DWI/ADC as an additional major criterion, improved the sensitivity of LI-RADS in the diagnosis of HCC while keeping high specificity.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Diffusion tensor imaging of the kidney in healthy controls and in children and young adults with autosomal recessive polycystic kidney disease

Objective: To compare diffusion tensor imaging (DTI) of the kidneys and its derived parameters in children with autosomal recessive polycystic kidney disease (ARPKD) versus healthy controls. Methods: In a prospective IRB-approved study, we evaluated the use of DTI to compare kidney parenchyma FA values in healthy controls (age-matched children with no history of renal disease) versus patients with ARPKD. A 20-direction DTI with b-values of b = 0 s/mm{sup 2} and b = 400 s/mm{sup 2} was used to acquire data in coronal direction using a fat-suppressed spin-echo echo-planar sequence. Diffusion Toolkit and TrackVis were used for analysis and segmentation. TrackVis was used to draw regions of interest (ROIs) covering the entire volume of the renal parenchyma, excluding the collecting system. Fibers were reconstructed using a deterministic fiber tracking algorithm. The FA values based on the ROI data, mean length, and volume of the tracks based on the fiber tracking data were recorded. Results: Eight healthy controls (mean age = 12.9 years ± 4.0; 1/8 males) and six ARPKD participants (mean age = 13.8 years ± 8.5; 5/6 males) were included in the study. Compared to healthy controls, patients with ARPKD had significantly lower FA values (0.33 ± 0.03 vs. 0.25 ± 0.02, p = 0.002) and mean track length (16.73 ± 3.43 vs. 11.61 ± 1.29 mm, p = 0.005). Conclusion: DTI of the kidneys shows significantly lower FA values and mean track length in children and young adults with ARPKD compared to normal subjects. DTI of the kidney offers a novel approach for characterizing renal disease based on changes in diffusion anisotropy and kidney structure.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Diffusion of Magnesium in Led Structures with InGaN/GaN Quantum Wells at True Growth Temperatures 860–980°C of p-GaN

The results of an investigation of Mg diffusion in blue LED structures with InGaN/GaN quantum wells are presented for various growth temperatures of the p-GaN layer. The values of the diffusion coefficient estimated for true growth temperatures of 860, 910, and 980°C were 7.5·10{sup –17}, 2.8·10{sup –16}, and 1.2·10{sup –15} cm{sup 2}/s, respectively. The temperature values given in the work were measured on the surface of the growing layer in situ using a pyrometer. The calculated activation energy for the temperature dependence of the diffusion coefficient was 2.8 eV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The Hot Bending and Diffusion Bonding of TiAl-Based Alloy for Corrugated-Core Sandwich Structure

The multi-layer structure of TiAl-based alloys can meet the demand of having lightweight and high-strength properties at elevated temperature. In this paper, the corrugated-core sandwich structure of a TiAl-based alloy was fabricated by the hot bending/diffusion bonding process. In order to fabricate this structure, the high-temperature tensile property, hot bending behavior, and vacuum diffusion bonding of a Ti-47.5Al-Cr-V alloy were investigated. The flow behavior was evaluated by uniaxial tensile experiment, and the results showed that the alloy exhibited good plasticity at the given conditions, and the maximum elongation reached 200% at 1000 °C at strain rate of 3 × 10{sup −4} s{sup −1}. The bending experiments were also performed at temperatures of 950, 1000, and 1050 °C with fillet radii of R = 0, 0.5, and 1 mm, respectively. No micro-/macro-defects developed. The vacuum diffusion bonding of this alloy was also carried out, and the shear bonding strength of bonding joints was measured at room temperature. The maximum shear strength was 398 MPa, and the joint was obtained at 1000 °C/30 MPa/3 h. Combining the bonding interface with the shear strength of different joints, the appropriate bonding pressure and bonding time for diffusion bonding of the TiAl alloy at 1000 °C were 20 MPa and 2 h, respectively. Then, the forming process of the corrugated-core sheet was conducted at 1000 °C with a fillet radius of 1 mm. Finally, the corrugated-core sandwich structure was manufactured under vacuum atmosphere, and the mechanical properties and the interface microstructure were investigated.

36 MATERIALS SCIENCE↗

Ultrahigh temperature in situ transmission electron microscopy based bicrystal coble creep in zirconia I: Nanowire growth and interfacial diffusivity

This study demonstrates novel in situ transmission electron microscopy-based microscale single grain boundary Coble creep experiments used to grow nanowires through a solid-state process in cubic ZrO 2 between ≈ 1200 °C and ≈ 2100 °C. Experiments indicate Coble creep drives the formation of nanowires from asperity contacts during tensile displacement, which is confirmed by phase field simulations. The experiments also facilitate efficient measurement of grain boundary diffusivity and surface diffusivity. 10 mol% Sc 2 O 3 doped ZrO 2 is found to have a cation grain boundary diffusivity of $D_{gb} = (0.056 ± 0.05)exp (\frac{-380,000±41,000}{RT})m^2 s^{-1}$, and $D_s = (0.10 ± 0.27)exp(\frac{-380,000 ± 28,000}{RT}) m^2 s^{-1}$.

36 MATERIALS SCIENCE↗

New theory of diffusive and coherent nature of optical wave via a quantum walk

We propose a new theory on a relation between diffusive and coherent nature in one dimensional wave mechanics based on a quantum walk. It is known that the quantum walk in homogeneous matrices provides the coherent property of wave mechanics. Using the recent result of a localization phenomenon in a one-dimensional quantum walk (Konno, 2010), we numerically show that the randomized localized matrices suppress the coherence and give diffusive nature. - Highlights: • A relation between diffusive and coherent nature of wave is obtained. • A rigorous decoherent process is observed in quantum walk. • Quantum walk for a point-process is numerically considered. • Transfer matrix theory with S-matrix in optics is connected with quantum walk.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Link between microstructure and tritiated water diffusivity in mortars: Impact of aggregates

The present study aims to investigate the influence of microstructure, particularly the effect of aggregates content and interfacial transition zone (ITZ), on tritiated water (HTO) diffusivity in mortars. To this end, three different series of mortars were prepared and HTO diffusion tests were conducted. Variables are water-to-cement ratio, sand volume fractions, and particle size distribution. In parallel, the microstructure of these materials was characterized by water porosimetry, mercury porosimetry, and by backscattered electron microscopy associated to images analysis. It was observed that at low sand content (0%–50%), diffusion properties of mortars are dominated by aggregates dilution effect. Beyond 50% of standard sand, other effects related to the large number of sand grains appear, such as air voids and porous areas mainly due to the difficulty of obtaining well-compacted materials.

36 MATERIALS SCIENCE↗

Chloride diffusivity, chloride threshold, and corrosion initiation in reinforced alkali-activated mortars: Role of calcium, alkali, and silicate content

The aim of this study is to investigate systematically the chloride diffusivity and chloride threshold of a wide range of calcium-rich and fly ash-dominated alkali-activated samples in light of their compositional differences. To this end, the effects of various fly ash (FA)-to-slag ratios, of alkali concentrations and of silicate content in the activator were investigated. The electrochemical aspects of the passive samples were also assessed. Results show the prominent role of calcium in the matrix to reduce the chloride diffusivity. While higher alkali concentration increased the porosity and chloride diffusivities in general, lower modulus ratios provided considerably better performance in the FA-dominated samples. Chloride threshold values range between 0.19 (wt% binder mass) for calcium-rich mortars fabricated at low levels of alkalinities and 0.69 for FA-dominated mortars fabricated with highly alkaline activators. Half-cell potential and polarization resistance of alkali-activated samples were in general lower than their Portland cement counterparts.

36 MATERIALS SCIENCE↗

Integration of hydrophobic gas diffusion layers for zero-gap electrolyzers to enable highly energy-efficient CO 2 electrolysis to C 2 products

Electrochemical CO 2 reduction (eCO2R) is an attractive route for mitigating global CO 2 emissions while producing value-added chemicals. Ethylene is one product of eCO2R and is an essential industrial precursor with a global market of $230 billion. The large-scale implementation of C 2 H 4 -selective CO 2 electrolyzers remains challenging because of low energy efficiencies. In this work, we develop the design principles necessary for incorporating an expanded polytetrafluoroethylene (ePTFE) electrode into a zero-gap electrolyzer while simultaneously developing an integrated electrical front contact that reduces the ohmic resistances inherent to electrically insulating gas diffusion layers. By co-designing the catalyst layer, gas diffusion medium, and operating conditions for a zero-gap ePTFE gas diffusion electrode (GDE), we achieved a full-cell voltage of 2.5 V at 200 mA cm −2 at 25 cm 2 geometric area cell with Faradaic efficiencies of 48% for ethylene and 40% for ethanol. This work highlights strategies for developing a scalable, stable, and highly energy-efficient eCO2R for C 2 products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Discovering a reaction–diffusion model for Alzheimer’s disease by combining PINNs with symbolic regression

Misfolded tau proteins play a critical role in the progression and pathology of Alzheimer's disease. Recent studies suggest that the spatio-temporal pattern of misfolded tau follows a reaction-diffusion type equation. However, the precise mathematical model and parameters that characterize the progression of misfolded protein across the brain remain incompletely understood. Here, we use deep learning and artificial intelligence to discover a mathematical model for the progression of Alzheimer's disease using longitudinal tau positron emission tomography from the Alzheimer's Disease Neuroimaging Initiative database. Specifically, we integrate physics informed neural networks (PINNs) and symbolic regression to discover a reaction-diffusion type partial differential equation for tau protein misfolding and spreading. First, we demonstrate the potential of our model and parameter discovery on synthetic data. Then, we apply our method to discover the best model and parameters to explain tau imaging data from 46 individuals who are likely to develop Alzheimer's disease and 30 healthy controls. Our symbolic regression discovers different misfolding models f(c) for two groups, with a faster misfolding for the Alzheimer's group, f(c) = 0.23c 3 – 1.34c 2 + 1.11c, than for the healthy control group, f(c) = –c 3 + 0.62c 2 + 0.39c. Our results suggest that PINNs, supplemented by symbolic regression, can discover a reaction-diffusion type model to explain misfolded tau protein concentrations in Alzheimer's disease. Furthermore, we expect our study to be the starting point for a more holistic analysis to provide image-based technologies for early diagnosis, and ideally early treatment of neurodegeneration in Alzheimer's disease and possibly other misfolding-protein based neurodegenerative disorders.

60 APPLIED LIFE SCIENCES↗

Trapped bubbles keep pumice afloat and gas diffusion makes pumice sink

Pumice can float on water for months to years – long enough for pumice to travel across oceans and facilitate the spread of species. Long-lived pumice floatation is unexpected, however, because pumice pores are highly connected and water wets volcanic glass. As a result, observations of long floating times have not been reconciled with predictions of rapid sinking. We propose a mechanism to resolve this paradox – the trapping of gas bubbles by water within the pumice. Gas trapping refers to the isolation of gas by water within pore throats such that the gas becomes disconnected from the atmosphere and unable to escape. We use X-ray microtomography to image partially saturated pumice and demonstrate that non-condensable gas trapping occurs in both ambient temperature and hot (500 °C) pumice. Furthermore, we show that the size distribution of trapped gas clusters matches predictions of percolation theory. Finally, we propose that diffusion of trapped gas determines pumice floatation time. Experimental measurements of pumice floatation support a diffusion control on pumice buoyancy and we find that floatation time τ scales as τ∝L2Dθ2 where L is the characteristic length of pumice, D is the gas–water diffusion coefficient, and θ is pumice water saturation. A mechanistic understanding of pumice floatation is a step towards understanding how pumice is partitioned into floating and sinking components and provides an estimate for the lifetime of pumice rafts in the ocean.

58 GEOSCIENCES↗

Effect of the Maximum Dose on White Matter Fiber Bundles Using Longitudinal Diffusion Tensor Imaging

Purpose: Previous efforts to decrease neurocognitive effects of radiation focused on sparing isolated cortical structures. We hypothesize that understanding temporal, spatial, and dosimetric patterns of radiation damage to whole-brain white matter (WM) after partial-brain irradiation might also be important. Therefore, we carried out a study to develop the methodology to assess radiation therapy (RT)–induced damage to whole-brain WM bundles. Methods and Materials: An atlas-based, automated WM tractography analysis was implemented to quantify longitudinal changes in indices of diffusion tensor imaging (DTI) of 22 major WM fibers in 33 patients with predominantly low-grade or benign brain tumors treated by RT. Six DTI scans per patient were performed from before RT to 18 months after RT. The DTI indices and planned doses (maximum and mean doses) were mapped onto profiles of each of 22 WM bundles. A multivariate linear regression was performed to determine the main dose effect as well as the influence of other clinical factors on longitudinal percentage changes in axial diffusivity (AD) and radial diffusivity (RD) from before RT. Results: Among 22 fiber bundles, AD or RD changes in 12 bundles were affected significantly by doses (P<.05), as the effect was progressive over time. In 9 elongated tracts, decreased AD or RD was significantly related to maximum doses received, consistent with a serial structure. In individual bundles, AD changes were up to 11.5% at the maximum dose locations 18 months after RT. The dose effect on WM was greater in older female patients than younger male patients. Conclusions: Our study demonstrates for the first time that the maximum dose to the elongated WM bundles causes post-RT damage in WM. Validation and correlative studies are necessary to determine the ability and impact of sparing these bundles on preserving neurocognitive function after RT.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Diffusion of point defects in ordered and disordered Ni–Fe alloys

We present how the ordered and disordered arrangement of elements can affect the transport properties of point defects in Ni–Fe metallic alloys using atomistic simulations. With molecular dynamics (MD) based on both first-principles calculations and empirical potentials, we show that defect diffusion slows down in the ordered Ni–Fe phases due to the decrease of effective coordination number for nearest-neighbor defect jumps. Thus, the disorder-order transition influences defect migration by changing the local atomic environment. We further elucidate that the defect diffusion in ordered and disordered phases is a result of the interplay between preferential defect diffusion and defect stability that relate to the defect energetics. These results indicate that defect evolution may be significantly delayed by embedding certain ordered structures into bulk disordered alloys, which are important to the understanding of the role of disorder in metallic alloys and provide insights on materials engineering by tuning the disorder/order level.

36 MATERIALS SCIENCE↗

Stable low diffusion flux splitting schemes on unstructured meshes

Shock instabilities are shown to manifest in modern low-diffusion flux-vector splitting (FVS) schemes when used on unstructured meshes, or situations where shocks do not align with the mesh lines. These instabilities occur irrespective of the Mach number of the shock. Three types of dissipative mechanisms that suppress these instabilities are presented. These mechanisms are carefully designed in order to affect only problematic regions of the flux-splittings. The AUSM + and LDFSS schemes are stabilized using the proposed modifications. It is shown that the added dissipation improves the shock behavior of AUSM and LDFSS on unstructured meshes. It is also shown that the AUSM + -up scheme is prone to the “carbuncle” instability, a specific type of shock instability, when used on unstructured meshes. The modifications proposed in this work do not lead to carbuncle instabilities for the problems considered here. Furthermore, the modified schemes are shown to satisfy certain properties that are crucial for accurate shear layer computations, such as stationary contact preservation. Using benchmark problems, it is demonstrated that despite the diffusion added for stabilization, these schemes are not overly diffusive. Furthermore, due to these advantages, the modified FVS schemes presented here are promising candidates for high-speed compressible flow computations on unstructured meshes.

97 MATHEMATICS AND COMPUTING↗

Multinuclear PFGSTE NMR description of 39 K, 23 Na, 7 Li, and 1 H specific activation energies governing diffusion in alkali nitrite solutions

While pulsed field gradient stimulated echo nuclear magnetic resonance (PFGSTE NMR) spectroscopy has found widespread use in the quantification of self-diffusivity for many NMR-active nuclei, extending this technique to uncommon nuclei with unfavorable NMR properties remains an active area of research. Potassium-39 ( 39 K) is an archetypical NMR nucleus exhibiting an unfavorable gyromagnetic ratio combined with a very low Larmor frequency. Despite these unfavorable properties, this work demonstrates that 39 K PFGSTE NMR experiments are possible in aqueous solutions of concentrated potassium nitrite. Further, analysis of the results indicates that 39 K NMR diffusometry is feasible when the nuclei exhibit spin–lattice and spin–spin relaxation coefficients on the order of 60–100 ms and 50–100 ms, respectively. The diffusivity of 39 K followed Arrhenius behavior, and comparative 23 Na, 7 Li, and 1 H PFGSTE NMR studies of equimolal sodium nitrite and lithium nitrite solutions led to correlations between the enthalpy of hydration with the activation energy governing self-diffusion of the cations and also of water. Realizing the feasibility of 39 K PFGSTE NMR spectroscopy has a widespread impact across energy sciences because potassium is a common alkali element in energy storage materials and other applications.

74 ATOMIC AND MOLECULAR PHYSICS↗

Investigation of defect clusters in ion-irradiated Ni and NiCo using diffuse X-ray scattering and electron microscopy

The nature of defect clusters in Ni and Ni$_{50}$Co$_{50}$ (NiCo) irradiated at room temperature with 2–16 MeV Ni ions is studied using asymptotic diffuse X-ray scattering and transmission electron microscopy (TEM). Analysis of the scattering data provides separate size distributions for vacancy and interstitial type defect clusters, showing that both types of defect clusters have a smaller size and higher density in NiCo than in Ni. Diffuse scattering results show good quantitative agreement with TEM results for cluster sizes greater than 4 nm diameter, but find that the majority of vacancy clusters are under 2 nm in NiCo, which, if not detected, would lead to the conclusion that defect density was actually lower in the alloy. Interstitial dislocation loops and stacking fault tetrahedra are identified by TEM. Lastly comparison of diffuse scattering lineshapes to those calculated for dislocation loops and SFTs indicates that most of the vacancy clusters are SFTs.

36 MATERIALS SCIENCE↗

Microstructure and diffusion behavior of uranium fuel with minor additives

Fission product lanthanides in metallic fuels are known to cause adverse fuel-cladding chemical interaction (FCCI). Tin (Sn) and palladium (Pd) are being explored as the potential additives to reduce or mitigate lanthanide-induced FCCI by forming stable Sn-Ln and Pd-Ln compounds. The current study is an investigation of the fuel alloys, U–4Sn, U–4Sn-4Ln, U–4Pd, and U–4Pd-4Ln (wt. %), and their diffusion behaviors with Fe. Microstructural analysis was performed using scanning electron microscopy (SEM). Further, the binary phases in the UPd and USn alloys are identified as UPd 3 and suspected U 2 Sn, where U 2 Sn is unknown in the literature. The binary phases in the UPdLn alloy are identified as PdLn and Pd-rich Pd-Ln (Pd 4 Ln 3 and Pd 3 Ln 2 ), and in the USnLn alloy is SnLn. Diffusion of Fe with these binary phases is insignificant compared to the diffusion with U. The Ln-induced FCCI can be mitigated by the additives.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗