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At least 595 records · Page 33

Effect of Strain on the Resistivity and Thermal Conductivity of High Purity Niobium

High purity niobium (Nb) is a technologically important material for large-scale accelerator and nano-scale quantum computing applications in microwave frequency range. The high thermal conductivity and low resistivity of Nb are critical to the high performance at temperature range of 0.01–4.0 K. The presence of interstitials such as O, N, H, and C act as scattering centers and alter the mean free path, reducing resistivity and thermal conductivity, and contributing significantly to Nb's thermal performance for temperatures of 2.0 K and above. The residual resistivity ratio (RRR), defined as the ratio of the normal state resistivity at 300 K to that at 4.2 K (Nb, T c = 9.2 K), is an accepted direct estimate of the impurity content of fully recrystallized Nb. Complete re-crystallization of Nb is challenging unless very high temperatures are employed, which is often impractical, hence, in practice, dislocation and dislocation structures impact the thermal performance of Nb due to strong phonon scattering contributions. Furthermore, this paper reports on the degradation of thermal conductivity and RRR of high purity Nb large grain, single crystal with fixed impurity, varying strain, and dislocation content levels. Experimental thermal conductivity data fits the Boltzmann transport equation incorporating dislocation density.

36 MATERIALS SCIENCE↗

Temperature elevation by HIFU in ex vivo porcine muscle: MRI measurement and simulation study

Purpose: High-intensity focused ultrasound is a rapidly developing medical technology with a large number of potential clinical applications. Computational model can play a pivotal role in the planning and optimization of the treatment based on the patient's image. Nonlinear propagation effects can significantly affect the temperature elevation and should be taken into account. In order to investigate the importance of nonlinear propagation effects, nonlinear Westervelt equation was solved. Weak nonlinear propagation effects were studied. The purpose of this study was to investigate the correlation between the predicted and measured temperature elevations and lesion in a porcine muscle. Methods: The investigated single-element transducer has a focal length of 12 cm, an aperture of 8 cm, and frequency of 1.08 MHz. Porcine muscle was heated for 30 s by focused ultrasound transducer with an acoustic power in the range of 24–56 W. The theoretical model consists of nonlinear Westervelt equation with relaxation effects being taken into account and Pennes bioheat equation. Results: Excellent agreement between the measured and simulated temperature rises was found. For peak temperatures above 85–90 °C “preboiling” or cavitation activity appears and lesion distortion starts, causing small discrepancy between the measured and simulated temperature rises. From the measurements and simulations, it was shown that distortion of the lesion was caused by the “preboiling” activity. Conclusions: The present study demonstrated that for peak temperatures below 85–90 °C numerical simulation results are in excellent agreement with the experimental data in three dimensions. Both temperature rise and lesion size can be well predicted. Due to nonlinear effect the temperature in the focal region can be increased compared with the linear case. The current magnetic resonance imaging (MRI) resolution is not sufficient. Due to the inevitable averaging the measured temperature can be 10–30 °C lower than the peak temperature. Computational fluid dynamics can provide additional important information that is lost using a state of the art MRI device.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Magnetic and defect probes of the SmB 6 surface state

The impact of nonmagnetic and magnetic impurities on topological insulators is a central focus concerning their fundamental physics and possible spintronics and quantum computing applications. Combining scanning tunneling spectroscopy with transport measurements, we investigate, both locally and globally, the effect of nonmagnetic and magnetic substituents in SmB 6 , a predicted topological Kondo insulator. Around the so-introduced substitutents and in accord with theoretical predictions, the surface states are locally suppressed with different length scales depending on the substituent’s magnetic properties. For sufficiently high substituent concentrations, these states are globally destroyed. Similarly, using a magnetic tip in tunneling spectroscopy also resulted in largely suppressed surface states. Hence, a destruction of the surface states is always observed close to atoms with substantial magnetic moment. This points to the topological nature of the surface states in SmB 6 and illustrates how magnetic impurities destroy the surface states from microscopic to macroscopic length scales.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Distinguishing a Majorana zero mode using spin-resolved measurements

One-dimensional topological superconductors host Majorana zero modes (MZMs), the nonlocal property of which could be exploited for quantum computing applications. We use spin-polarized scanning tunneling microscopy to show that MZMs realized in self-assembled Fe chains on the surface of Pb have a spin polarization that exceeds that stemming from the magnetism of these chains. This feature, captured by our model calculations, is a direct consequence of the nonlocality of the Hilbert space of MZMs emerging from a topological band structure. Furthermore, our study establishes spin-polarization measurements as a diagnostic tool to distinguish topological MZMs from trivial in-gap states of a superconductor.

Jeon, Sangjun↗

Technique for the Formation of Antireflection Coatings Based on ITO Films

A technique for forming transparent conducting indium-tin-oxide films for applications, which require high current densities, are considered. These films have to combine a good surface conductivity with an increased transmittance of radiation within a wide wavelength range. A two-stage process is designed to fabricate such coatings: at the first stage, a dense indium-tin-oxide film with high electrical conductivity is formed; then, an additional antireflection layer of the same material is deposited. Possible methods for optimizing these additional indium-tin-oxide films obtained by forming nanostructured self-assembled coatings on the surface of dense films are investigated. It is shown that the best light extraction over a wide wavelength range is provided by the composite film-deposition technique, which consists in the deposition of self-assembled nanostructured coatings by electron-beam evaporation on a hot substrate and the further filling of voids by magnetron sputtering at room temperature. Since the optical properties of the obtained antireflection coatings depend on the mass ratio of materials deposited at each stage, the technique makes it possible to optimize the film properties on the basis of problems specified by the area of their application. Computer simulation of the behavior of the material distribution in the structure of the studied coatings confirms the ability of the method of combined film deposition to form the smoothest character of the change in the effective refractive index of the coating structure, which leads to the most efficient extraction of optical-range light.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Tuyere: Enabling Scalable Memory Workloads for System Exploration

Memory technologies are under active development. Meanwhile, workloads on contemporary computing systems are increasing rapidly in size and diversity. Such dynamics in hardware and software further widen the gap between memory system design and performance evaluation. In this work, we propose a data-centric abstraction of high-performance computing applications for fast exploration of new memory technologies. We also provide a framework that uses a formal modeling language to describe the abstraction, automatically translates abstractions into memory traffic, and directly interfaces with cycle-accurate simulators. We evaluated the framework using 20 workloads and validated the memory traffic profile, the simulation results, and the relative memory changes of four memory technologies. Our results show that the data-centric abstraction can accurately capture application behavior adaptable to different input problems and can expedite system exploration.

Peng, Ivy Bo↗

Ultrafast Error-bounded Lossy Compression for Scientific Datasets

Today's scientific high-performance computing applications and advanced instruments are producing vast volumes of data across a wide range of domains, which impose a serious burden on data transfer and storage. Error-bounded lossy compression has been developed and widely used in the scientific community because it not only can significantly reduce the data volumes but also can strictly control the data distortion based on the user-specified error bound. Existing lossy compressors, however, cannot offer ultrafast compression speed, which is highly demanded by numerous applications or use cases (such as in-memory compression and online instrument data compression). In this paper, we propose a novel ultrafast error-bounded lossy compressor that can obtain fairly high compression performance on both CPUs and GPUs and with reasonably high compression ratios. The key contributions are threefold. (1) We propose a generic error-bounded lossy compression framework---called SZx---that achieves ultrafast performance through its novel design comprising only lightweight operations such as bitwise and addition/subtraction operations, while still keeping a high compression ratio. (2) We implement SZx on both CPUs and GPUs and optimize the performance according to their architectures. (3) We perform a comprehensive evaluation with six real-world production-level scientific datasets on both CPUs and GPUs. Experiments show that SZx is 2~16x faster than the second-fastest existing error-bounded lossy compressor (either SZ or ZFP) on CPUs and GPUs, with respect to both compression and decompression.

Yu, Xiaodong↗

Silicon Nanosheets as Candidates for Silicon-Based Optoelectronics

The growth in computational ability over the past decades has positively impacted global development, the economy, healthcare, and science. As on-chip components are approaching the atomic scale, alternative paradigms are needed to address the thermal and electronic issues that impose bottlenecks for computing. One approach to address this is with optoelectronics. However, silicon—the backbone of microelectronics—is a poor choice due to its indirect bandgap, while existing optoelectronic materials are incompatible with CMOS infrastructure. Monolayer silicon nanosheets (SiNSs) are an intriguing material that exhibit photoluminescence, and are compositionally-compatible with the CMOS process. Here, we synthesize and characterize monolayer SiNSs, and show spectroscopic evidence that they exhibit a quasi-direct bandgap, which is corroborated by DFT calculations. We probe their thermal stability, demonstrating their structure and photoluminescence are stable beyond the required operating temperatures for computing applications. These optoelectronic properties, CMOS-compatibility, and stability make SiNSs a viable candidate for silicon-based photonics.

Ryan, Bradley↗

Multiphysics Object Oriented Simulation Environment

The Multiphysics Object Oriented Simulation Environment (MOOSE) software library developed at Idaho National Laboratory is a tool. MOOSE, like other tools, doesn't actually complete a task. Instead, MOOSE seeks to reduce the effort required to create engineering simulation applications. MOOSE itself is a software library: a blank canvas upon which you write equations and then MOOSE can help you solve them. MOOSE is comparable to a spreadsheet application. A spreadsheet, by itself, doesn't do anything. Only once equations are entered into it will a spreadsheet application compute anything. Such is the same for MOOSE. An engineer or scientist can utilize the equation solvers within MOOSE to solve equations related to their area of study. For instance, a geomechanical scientist can input equations related to water flow in underground reservoirs and MOOSE can solve those equations to give the scientist an idea of how water could move over time. An engineer might input equations related to the forces in steel beams in order to understand the load bearing capacity of a bridge. Because MOOSE is a blank canvas it can be useful in many scientific and engineering pursuits.

Source record↗

Damselfly Network Simulator

Damselfly is a model-based parallel network simulator. It can simulate communication patterns of High Performance Computing applications on different network topologies. It outputs steady-state network traffic for a communication pattern, which can help in studying network congestion and its impact on performance.

Source record↗

Trace Replay and Network Simulation Tool

TraceR is a trace reply tool built upon the ROSS-based CODES simulation framework. TraceR can be used for predicting network performances and understanding network behavior by simulating messaging in High Performance Computing applications on interconnection networks.

Acun, Bilge↗

Spify Parser of Input Files with YAML syntax

SPIFY is a C++ library for parsing input files to be used in scientific computing applications. The library allows an application developer to define a full set of required and optional input variable of different types and handles all of the parsing and validation.

Whitesides, Russell↗

Trace Replay and Network Simulation Tool

TraceR Is a trace replay tool built upon the ROSS-based CODES simulation framework. TraceR can be used for predicting network performance and understanding network behavior by simulating messaging In High Performance Computing applications on interconnection networks.

Jain, Nikhil↗

QCLAB v0.1

QCLAB is an object-oriented MATLAB package for creating and representing quantum circuits. QCLAB can be used for rapid prototyping and testing of quantum algorithms, and allows for fast algorithm development and discovery. QCLAB provides I/O through openQASM making it compatible with quantum hardware. It is uniquely targeted at MATLAB users who so far didn't have any native MATLAB options for developing quantum computing applications.

Van Beeumen, RoelMaria Franciscus↗

DEPDOSE

DEPDOSE is an open-source computer application which combines the KDEP respiratory tract deposition software with committed equivalent dose coefficient tables from the DC_PAK internal dosimetry package. DEPDOSE allows the user to rapidly produce tables of dose coefficients to workers and members of the public inhaling a precisely defined, user-specified aerosols using the ICRP 60 series methodology. Combined with a plume dispersion modeling system such as QUIC, this makes it possible to predict radiation doses downstream from an accidental or intentional release of radioactive materials. For this work, a radioactive plume was calculated to members of the public downstream from a plausible release of radionuclides into the atmosphere.

Klumpp, John↗

Ciel

Compiler optimizations can alter the numerical results of scientific computing applications. When numerical results differ significantly between compilers, optimization levels, and floating-point hardware, these numerical inconsistencies can impact programming productivity. Ciel is a framework that helps programmers identify locations in the source code that are affected by compiler optimizations in CPU and GPU code. Ciel uses a floating-point precision enhancement strategy, guided by a recursive bisection search algorithm with increasing search granularity, to identify the program expressions that induce numerical inconsistencies due to compiler optimizations.

Miao, Wenjun↗

System Noise Benchmarks

This project includes benchmarks to assess the presence of system noise on supercomputers. System noise is any activity that interferes with the execution of high-performance computing applications.

Moody, AdamT [Lawrence Livermore National Laborato↗

NeuroFEM

SAND2025-00525O NeuroFEM is a software tool that demonstrates a neuromorphic algorithm for solving finite element problems. It sets up a 2D finite element problem for the Poisson equation on a disk, constructs synaptic matrices, and simulates neural dynamics to solve the resulting sparse linear system. The software illustrates how the algorithm converges to the solution and plots the results, showcasing a neuromorphic counterpart to traditional methods like Conjugate Gradient or GMRES. This tool is designed to highlight the potential of neuromorphic algorithms for solving sparse linear systems, which are prevalent in various computational applications. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗