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At least 235 records · Page 13

Advances in Patch-Based Adaptive Mesh Refinement Scalability

Patch-based structured adaptive mesh refinement (SAMR) is widely used for high-resolution simu- lations. Combined with modern supercomputers, it could provide simulations of unprecedented size and resolution. A persistent challenge for this com- bination has been managing dynamically adaptive meshes on more and more MPI tasks. The dis- tributed mesh management scheme in SAMRAI has made some progress SAMR scalability, but early al- gorithms still had trouble scaling past the regime of 105 MPI tasks. This work provides two critical SAMR regridding algorithms, which are integrated into that scheme to ensure efficiency of the whole. The clustering algorithm is an extension of the tile- clustering approach, making it more flexible and efficient in both clustering and parallelism. The partitioner is a new algorithm designed to prevent the network congestion experienced by its prede- cessor. We evaluated performance using weak- and strong-scaling benchmarks designed to be difficult for dynamic adaptivity. Results show good scaling on up to 1.5M cores and 2M MPI tasks. Detailed timing diagnostics suggest scaling would continue well past that.

97 MATHEMATICS AND COMPUTING↗

A Limiting Case of Constant Counterion Electrochemical Potentials in the Membrane for Examining Ion Transfer at Ion-Exchange Membranes and Patches

We present that ion passage through ion-exchange membranes is vital in electrodialysis desalination, batteries and fuel cells, and water splitting. Simplified models of ion transport through such membranes frequently assume complete exclusion of coions (ions with the same sign of charge as the fixed charge in the membrane) from the membrane. However, a second assumption of constant counterion electrochemical potentials across the membrane leads to simple analytical expressions for ion fluxes and transmembrane potentials. Moreover, linear corrections to account for a small membrane electrical resistance yield analytical expressions with a wider applicability. For bi-ionic potential measurements and current-induced concentration polarization at low salt concentrations, these analytical solutions match the fluxes and potentials obtained numerically without the limiting assumptions. This gives confidence in both the limiting assumptions (under appropriate conditions) and the numerical solutions. At low ion concentrations, the analytical solutions may enable rapid characterization of membrane coatings or boundary layers in solution, and such boundary layers are important in many applications of ion-exchange membranes. In fact, the assumption of complete coion exclusion is sometimes more limiting than the constraint of constant electrochemical potentials of counterions across the membrane. Remarkably, this limiting case readily yields the ion accumulation and depletion regions above “ion-exchange patches” that reside beneath a solution with an applied electric field. Finally, such regions are important for sample pre-concentration in microfluidic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Patched bimetallic surfaces are active catalysts for ammonia decomposition

In this study, ammonia decomposition is often used as an archetypical reaction for predicting new catalytic materials and understanding the very reason of why some reactions are sensitive on material’s structure. Core–shell or surface-segregated bimetallic nanoparticles expose outstanding activity for many heterogeneously catalysed reactions but the reasons remain elusive owing to the difficulties in experimentally characterizing active sites. Here by performing multiscale simulations in ammonia decomposition on various nickel loadings on platinum (111), we show that the very high activity of core–shell structures requires patches of the guest metal to create and sustain dual active sites: nickel terraces catalyse N-H bond breaking and nickel edge sites drive atomic nitrogen association. The structure sensitivity on these active catalysts depends profoundly on reaction conditions due to kinetically competing relevant elementary reaction steps. We expose a remarkable difference in active sites between transient and steady-state studies and provide insights into optimal material design.

36 MATERIALS SCIENCE↗

A multi-modal sweat sensing patch for cross-verification of sweat rate, total ionic charge, and Na + concentration

Sweat sensors introduced in recent years have targeted a variety of sweat features and biomarkers for non-invasive health monitoring. Amongst these targets, reliable monitoring of sweat rate is crucial due to its modulation of sweat analyte concentrations and its intrinsic significance to numerous medical and physiological health conditions. In this paper, we present a sweat rate sensor structure comprising of electrodes with interdigitated fingers in a microfluidic channel. Each time the accumulating sweat impinges on an electrode finger, the sensor reports a jump in admittance that can be simply and efficiently counted to estimate sweat rate, overcoming selectivity limitations of previously reported sweat rate sensors. We further integrate an impedimetric sensor for measuring total ionic charge concentration and an electrochemical Na + sensor, together creating a multi-modal system for analyzing fluid and electrolyte secretion. We demonstrate how low analyte diffusion rates through this microfluidic device allow for multi-purpose sensor function, including utilizing the sweat rate sensor signal to corroborate total ionic sensor measurements. This cross-verification capability ensures data integrity in real time, satisfying a vital consideration for personalized healthcare technologies. We use the presented patch for continuous analysis of sweat rate, total ionic charge concentration, and Na + concentration during exercise, while demonstrating how multi-modal cross-verification brings new trust to sensor readings.

47 OTHER INSTRUMENTATION↗

Quantum Hall effect in graphene decorated with disordered multilayer patches

Quantum Hall effect (QHE) is observed in graphene grown by chemical vapour deposition using platinum catalyst. The QHE is even seen in samples which are irregularly decorated with disordered multilayer graphene patches and have very low mobility (<500 cm{sup 2}V{sup −1}s{sup −1}). The effect does not seem to depend on electronic mobility and uniformity of the resulting material, which indicates the robustness of QHE in graphene.

36 MATERIALS SCIENCE↗

Cooperative polymerization of one-patch colloids

We numerically investigate cooperative polymerization in an off-lattice model based on a pairwise additive potential using particles with a single attractive patch that covers 30% of the colloid surface. Upon cooling, these particles self-assemble into small clusters which, below a density-dependent temperature, spontaneously reorganize into long straight tubes. We evaluate the partition functions of clusters of all sizes to provide an accurate description of the chemical reaction constants governing this process. Our calculations show that, for intermediate sizes, the partition functions retain contributions from two different structures, differing in both energy and entropy. We illustrate the microscopic mechanism behind the complex polymerization process in this system and provide a detailed evaluation of its thermodynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integrated patch and slot array antenna for terahertz quantum cascade lasers at 4.7 THz

Our work presents a slot and a patch array antenna at the front facet of a 4.7 THz quantum cascade laser as extractor, decreasing the facet reflectivity down to 2.6%. The resulting output power increases by a factor 2 and the slope efficiency by a factor 4. The simulated and the measured far-fields are in good agreement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Magneto-transport properties of a random distribution of few-layer graphene patches

In this study, we address the electronic properties of conducting films constituted of an array of randomly distributed few layer graphene patches and investigate on their most salient galvanometric features in the moderate and extreme disordered limit. We demonstrate that, in annealed devices, the ambipolar behaviour and the onset of Landau level quantization in high magnetic field constitute robust hallmarks of few-layer graphene films. In the strong disorder limit, however, the magneto-transport properties are best described by a variable-range hopping behaviour. A large negative magneto-conductance is observed at the charge neutrality point, in consistency with localized transport regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Patch antenna terahertz photodetectors

We report on the implementation of 5 THz quantum well photodetector exploiting a patch antenna cavity array. The benefit of our plasmonic architecture on the detector performance is assessed by comparing it with detectors made using the same quantum well absorbing region, but processed into a standard 45° polished facet mesa. Our results demonstrate a clear improvement in responsivity, polarization insensitivity, and background limited performance. Peak detectivities in excess of 5 × 10{sup 12} cmHz{sup 1/2}/W have been obtained, a value comparable with that of the best cryogenic cooled bolometers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Scaling patch analysis of planar turbulent wakes

In this work, a scaling patch approach is used to investigate the proper scales in planar turbulent wakes. A proper scale for the mean axial flow is the well-known maximum velocity deficit U ref = U ∞ –U ctr , where U ∞ is the free stream velocity and U ctr is the mean axial velocity at the wake centerline. From an admissible scaling of the mean continuity equation, a proper scale for the mean transverse flow is found as V ref = (dδ/dx)U ref , where dδ/dx is the growth rate of the wake width. From an admissible scaling of the mean momentum equation, a proper scale for the kinematic Reynolds shear stress is found as R uv,ref = U ∞ V ref , which is a mixed scale of the free stream velocity and the mean transverse flow scale. Expressions are derived for the scaled mean transverse velocity and Reynolds shear stress in the far field of planar turbulent wakes. Using a Gaussian function for the mean axial velocity deficit, approximate functions for the scaled mean transverse velocity and Reynolds shear stress are developed and found to agree well with experimental and simulation data. This work reveals that the mean transverse flow, despite its small magnitude, plays an important role in the scaling and understanding of the planar turbulent wake.

42 ENGINEERING↗

Scaling patch analysis of planar turbulent mixing layers

Proper scales for the mean flow and Reynolds shear stress in planar turbulent mixing layers are determined from a scaling patch analysis of the mean continuity and momentum equations. By seeking an admissible scaling of the mean continuity equation, a proper scale for the mean transverse flow is determined as V ref =(dδ/dx)U ref , where dδ/dx is the growth rate of the mixing layer width and U ref =U h –U l is the difference between the velocity of the high speed stream U h and the velocity of the low speed stream U l . By seeking an admissible scaling for the mean momentum equation, a proper scale for the kinematic Reynolds shear stress is determined as R uv,ref =U avg V ref =[$\frac{1}{2A_u}$$\frac{dδ}{dx}$]$U^{2}_{ref}$ where A u $_{=}^{def}$(U h –U l )/(U h +U l ) is the normalized velocity difference that emerges naturally in the admissible scaling of the mean momentum equation. Self-similar equations for the scaled mean transverse flow V* and Reynolds shear stress $R^{*}_{uv}$=R uv /R uv,ref are derived from the mean continuity and mean momentum equations. Finally, approximate equations for V* and $R^{*}_{uv}$ are developed and found to agree well with experimental data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Use of current-potential patches to obtain fundamental improvements to the coils of magnetic fusion devices

A central issue in the design of tokamaks or stellarators is the coils that produce the external magnetic fields. The freedom that remains unstudied in the design of coils is enormous. This freedom could be quickly studied computationally at low cost with high reliability. In particular, the space between toroidal field and modular coils that blocks access to the plasma chamber could be increased by a large factor. The concept of current-potential patches, which was developed in Todd Elder's thesis, provides a method for separating the study of the feasibility of coils with attractive physics properties from the engineering design of specific coils. In addition to enhanced accessibility, coils can be designed for increased plasma-coil separation, insensitivity to coil position errors, and plasma control.

Boozer, Allen H. [Columbia Univ., New York, NY (Un↗

A biology-informed similarity metric for simulated patches of human cell membrane

Complex scientific inquiries rely increasingly upon large and autonomous multiscale simulation campaigns, which fundamentally require similarity metrics to quantify ‘sufficient’ changes among data and/or configurations. However, subject matter experts are often unable to articulate similarity precisely or in terms of well-formulated definitions, especially when new hypotheses are to be explored, making it challenging to design a meaningful metric. Furthermore, the key to practical usefulness of such metrics to enable autonomous simulations lies in in situ inference, which requires generalization to possibly substantial distributional shifts in unseen, future data. Here, we address these challenges in a cancer biology application and develop a meaningful similarity metric for ‘patches’—regions of simulated human cell membrane that express interactions between certain proteins of interest and relevant lipids. In the absence of well-defined conditions for similarity, we leverage several biology-informed notions about data and the underlying simulations to impose inductive biases on our metric learning framework, resulting in a suitable similarity metric that also generalizes well to significant distributional shifts encountered during the deployment. We combine these intuitions to organize the learned embedding space in a multiscale manner, which makes the metric robust to incomplete and even contradictory intuitions. Our approach delivers a metric that not only performs well on the conditions used for its development and other relevant criteria, but also learns key spatiotemporal relationships without ever being exposed to any such information during training.

97 MATHEMATICS AND COMPUTING↗

Far-Field Interrogation of Microstrip Patch Antenna for Temperature Sensing Without Electronics

Temperature sensing without electronics is demonstrated through wireless interrogation of passive antenna-sensors. The sensor node is equipped with an ultra-wide-band microstrip antenna as the transmitting/receiving (Tx/Rx) antenna and a microstrip patch antenna serving as the temperature-sensing element. A microstrip transmission line connecting the Tx/Rx antenna and the antenna-sensor delays the signal reflected from the sensing element and thus separated it from the background clutter. The operation principle of the wireless sensing scheme is first discussed, followed by the design and simulations of the sensor node circuitry. Furthermore, a digital signal processing algorithm that extracts the antenna resonant frequency from the wirelessly received signal is also described. Temperature tests were conducted to validate the performance of the wireless antenna sensor inside an oven.

42 ENGINEERING↗

WE-EF-210-08: BEST IN PHYSICS (IMAGING): 3D Prostate Segmentation in Ultrasound Images Using Patch-Based Anatomical Feature

Purpose: Transrectal ultrasound (TRUS) is the standard imaging modality for the image-guided prostate-cancer interventions (e.g., biopsy and brachytherapy) due to its versatility and real-time capability. Accurate segmentation of the prostate plays a key role in biopsy needle placement, treatment planning, and motion monitoring. As ultrasound images have a relatively low signal-to-noise ratio (SNR), automatic segmentation of the prostate is difficult. However, manual segmentation during biopsy or radiation therapy can be time consuming. We are developing an automated method to address this technical challenge. Methods: The proposed segmentation method consists of two major stages: the training stage and the segmentation stage. During the training stage, patch-based anatomical features are extracted from the registered training images with patient-specific information, because these training images have been mapped to the new patient’ images, and the more informative anatomical features are selected to train the kernel support vector machine (KSVM). During the segmentation stage, the selected anatomical features are extracted from newly acquired image as the input of the well-trained KSVM and the output of this trained KSVM is the segmented prostate of this patient. Results: This segmentation technique was validated with a clinical study of 10 patients. The accuracy of our approach was assessed using the manual segmentation. The mean volume Dice Overlap Coefficient was 89.7±2.3%, and the average surface distance was 1.52 ± 0.57 mm between our and manual segmentation, which indicate that the automatic segmentation method works well and could be used for 3D ultrasound-guided prostate intervention. Conclusion: We have developed a new prostate segmentation approach based on the optimal feature learning framework, demonstrated its clinical feasibility, and validated its accuracy with manual segmentation (gold standard). This segmentation technique could be a useful tool for image-guided interventions in prostate-cancer diagnosis and treatment. This research is supported in part by DOD PCRP Award W81XWH-13-1-0269, and National Cancer Institute (NCI) Grant CA114313.

60 APPLIED LIFE SCIENCES↗

nvidia dataframe library patch to support parquet indexing

On behalf of our WFO sponsors/collaborators, we are working closely with NVIDIA to improve their public, open-source GPU dataframes library. We are improving the library's support for reading and writing Parquet (an open source file format) for general-purpose cloud storage and processing. This patch better supports the indexing found in the more recent Parquet specifications. Is there

Seidl, EdwardT↗

Design and characterization of microstrip patch antennas for high-T c superconducting terahertz emitters

We designed and characterized a microstrip pattern of planar patch antennas compatible with a cuprate high- T c superconducting terahertz emitter. Antenna parameters were optimized using an electromagnetic simulator. We observed repeatable sub-terahertz emissions from each mesa fabricated on identical Bi 2 Sr 2 CaCu 2 O 8+δ base crystals in a continuous frequency range of 0.35–0.85 THz. Although there was no significant output power enhancement, a plateau behavior at a fixed frequency was observed below 40 K, indicating moderate impedance matching attributable to the ambient microstrip pattern. A remarkably anisotropic polarization at an axial ratio of up to 16.9 indicates a mode-locking effect. Our results enable constructing compactly assembled, monolithic, and broadly tunable superconducting terahertz sources.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Patch-level CO2 and CH4 fluxes and porewater concentrations in experimental wetlands, 2 PPT saltwater intrusion simulations, Aug-Oct 2022: Louisiana

This dataset contains carbon dioxide (CO2) and methane (CH4) flux measurements from patches of wetland vegetation dominated by Typha domingensis and Panicum hemitomon, which were conducted to assess flux responses to acute saltwater intrusion. The measurements occurred before, during, and after simulated acute saltwater intrusion events of low concentrations of ~ 2 PPT. The measurements comprise gas fluxes from the wetland surface (i.e., soil-water column and vegetation) and fluxes from the soil-water column exclusively. These two sets of fluxes are separated into two files and are complemented with four more files containing porewater concentrations of CO2 and CH4 collected at 0-5 cm, 10-15 cm, and 20-25 cm depth increments, spectral indices measurements, biomass, and sediment elevation table measurements. The files can be opened with regular text editors or spreadsheet programs.

54 ENVIRONMENTAL SCIENCES↗