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At least 1,153 records · Page 64

Self-Driving Laboratories for Chemistry and Materials Science

Self-driving laboratories (SDLs) promise an accelerated application of the scientific method. Through the automation of experimental workflows, along with autonomous experimental planning, SDLs hold the potential to greatly accelerate research in chemistry and materials discovery. This review provides an in-depth analysis of the state-of-the-art in SDL technology, its applications across various scientific disciplines, and the potential implications for research and industry. This review additionally provides an overview of the enabling technologies for SDLs, including their hardware, software, and integration with laboratory infrastructure. Most importantly, this review explores the diverse range of scientific domains where SDLs have made significant contributions, from drug discovery and materials science to genomics and chemistry. We provide a comprehensive review of existing real-world examples of SDLs, their different levels of automation, and the challenges and limitations associated with each domain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Trace Crawler SOFTWARE

The trace crawler is a tool for selective web crawling to archive web resources with well-defined boundaries. The specific web navigation steps (or trace) are formulated for the families of webpages, where layout or HTML structure can be similar but the content is different, for example, GitHub, Slideshare, blogs, etc. The trace is recorded in a json file format.

Balakireva, Lyudmila↗

Noise-aware circuit compilations for a continuously parameterized two-qubit gateset

State-of-the-art noisy-intermediate-scale quantum processors are currently implemented across a variety of hardware platforms, each with their own distinct gatesets. As such, circuit compilation should not only be aware of but also deeply connect to the native gateset and noise properties of each. Trapped-ion processors are one such platform that provides a gateset that can be continuously parameterized across both one- and two-qubit gates. Here we use the Quantum Scientific Computing Open User Testbed to study noise-aware compilations focused on continuously parameterized two-qubit 𝑍⁢𝑍 gates (based on the Mølmer-Sørensen interaction) using $\scriptsize{SUPERSTAQ}$, a quantum software platform for hardware-aware circuit compiler optimizations. We discuss the realization of 𝑍⁢𝑍 gates with arbitrary angle on the all-to-all connected trapped-ion system. Then we discuss a variety of different compiler optimizations that innately target these 𝑍⁢𝑍 gates and their noise properties. These optimizations include moving from a restricted maximally entangling gateset to a continuously parameterized one, swap mirroring to further reduce the total entangling angle of the operations, focusing the heaviest 𝑍⁢𝑍 angle participation on the best-performing gate pairs, and circuit approximation to remove the least impactful 𝑍⁢𝑍 gates. We demonstrate these compilation approaches on the hardware with randomized quantum volume circuits, observing the potential to realize a larger quantum volume as a result of these optimizations. Using differing yet complementary analysis techniques, we observe the distinct improvements in system performance provided by these noise-aware compilations and study the role of stochastic and coherent error channels for each compilation choice.

Noise↗

Institute for Sustained Performance, Energy, and Resilience (SuPER)

The University of Tennessee (UTK) and University of Texas at El Paso (UTEP) partnership supported the three main thrusts of the SUPER project---performance, energy, and resilience. The UTK-UTEP effort thus helped advance the main goal of SUPER, which was to ensure that DOE's computational scientists can successfully exploit the emerging generation of high performance computing (HPC) systems. This goal is being met by providing application scientists with strategies and tools to productively maximize performance, conserve energy, and attain resilience. The primary vehicle through which UTK provided performance measurement support to SUPER and the larger HPC community is the Performance Application Programming Interface (PAPI). PAPI is an ongoing project that provides a consistent interface and methodology for collecting hardware performance information from various hardware and software components, including most major CPUs, GPUs and accelerators, interconnects, I/O systems, and power interfaces, as well as virtual cloud environments. The PAPI software is widely used for performance modeling of scientific and engineering applications---for example, the HOMME (High Order Methods Modeling Environment) climate code, and the GAMESS and NWChem computational chemistry codes---on DOE supercomputers. PAPI is widely deployed as middleware for use by higher-level profiling, tracing, and sampling tools (e.g., CrayPat, HPCToolkit, Scalasca, Score-P, TAU, Vampir, PerfExpert), making it the de facto standard for hardware counter analysis. PAPI has established itself as fundamental software infrastructure in every application domain (spanning academia, government, and industry), where improving performance can be mission critical. Ultimately, as more application scientists migrate their applications to HPC platforms, they will benefit from the extended capabilities this grant brought to PAPI to analyze and optimize performance in these environments, whether they use PAPI directly, or via third-party performance tools. Capabilities added to PAPI through this grant include support for new architectures such as the lastest GPU and Xeon Phi accelerators, and advanced power measurement and management features. Another important topic for the UTK team was providing support for a rich ecosystem of different fault management strategies in the context of parallel computing. Our long term efforts have been oriented toward proposing flexible strategies and providing building boxes that application developers can use to build the most efficient fault management technique for their application. These efforts span across the entire software spectrum, from theoretical models of existing strategies to easily assess their performance, to algorithmic modifications to take advantage of specific mathematical properties for data redundancy and to extensions to widely used programming paradigms to empower the application developers to deal with all types of faults. We have also continued our tight collaborations with users to help them adopt these technologies to ensure their application always deliver meaningful scientific data. Large supercomputer systems are becoming more and more power and energy constrained, and future systems and applications running on them will need to be optimized to run under power caps and/or minimize energy consumption. The UTEP team contributed to the SUPER energy thrust by developing power modeling methodologies and investigating power management strategies. Scalability modeling results showed that some applications can scale better with respect to an increasing power budget than with respect to only the number of processors. Power management, in particular shifting power to processors on the critical path of an application execution, can reduce perturbation due to system noise and other sources of runtime variability, which are growing problems on large-scale power-constrained computer systems.

42 ENGINEERING↗

SU-E-T-83: A Study On Evaluating the Directional Dependency of 2D Seven 29 Ion Chamber Array Clinically with Different IMRT Plans

Purpose: To evaluate the directional dependency of 2D seven 29 ion chamber array clinically with different IMRT plans. Methods: 25 patients already treated with IMRT plans were selected for the study. Verification plans were created for each treatment plan in eclipse 10 treatment planning system using the AAA algorithm with the 2D array and the Octavius CT phantom. Verification plans were done 2 times for a single patient. First plan with real IMRT (plan-related approach) and second plan with zero degree gantry angle (field-related approach). Measurements were performed on a Varian Clinac-iX, linear accelerator equipped with a millennium 120 multileaf collimator. Fluence was measured for all the delivered plans and analyzed using the verisoft software. Comparison was done by selecting the fluence delivered in static gantry (zero degree gantry) versus IMRT with real gantry angles. Results: The gamma pass percentage is greater than 97 % for all IMRT delivered with zero gantry angle and between 95%–98% for real gantry angles. Dose difference between the TPS calculated and measured for IMRT delivered with zero gantry angle was found to be between (0.03 to 0.06Gy) and with real gantry angles between (0.02 to 0.05Gy). There is a significant difference between the gamma analysis between the zero degree and true angle with a significance of 0.002. Standard deviation of gamma pass percentage between the IMRT plans with zero gantry angle was 0.68 and for IMRT with true gantry angle was found to be 0.74. Conclusion: The gamma analysis for IMRT with zero degree gantry angles shows higher pass percentage than IMRT delivered with true gantry angles. Verification plans delivered with true gantry angles lower the verification accuracy when 2D array is used for measurement.

60 APPLIED LIFE SCIENCES↗

Grandmaster: Interactive text-based analytics of social media

People use social media resources like Twitter, Facebook, forums etc. to share and discuss various activities or topics. By aggregating topic trends across many individuals using these services, we seek to construct a richer profile of a person’s activities and interests as well as provide a broader context of those activities. This profile may then be used in a variety of ways to understand groups as a collection of interests and affinities and an individual’s participation in those groups. Our approach considers that much of these data will be unstructured, free-form text. By analyzing free-form text directly, we may be able to gain an implicit grouping of individuals with shared interests based on shared conversation, and not on explicit social software linking them. In this paper, we discuss a proof-of-concept application called Grandmaster built to pull short sections of text, a person’s comments or Twitter posts, together by analysis and visualization to allow a gestalt understanding of the full collection of all individuals: how groups are similar and how they differ, based on their text inputs.

97 MATHEMATICS AND COMPUTING↗

LCOE reduction through proactively optimized monitoring of PV Systems (Final Technical Report)

The project demonstrates the value proposition for a high-resolution monitoring system (HRMS) with diagnostic-prognostic capability and determine its impact on LCOE. The HRMS differs from conventional monitoring systems in a number of ways. First it will include the capability to automatically measure IV curves at the string and module levels. This provides a much richer view into the DC performance of the PV system and allows classification of many typical failure and degradation modes. Second, it will incorporate software capable of quantifying power and energy losses in the field as well as define the location and mechanism of the power and energy loss. Moreover, we aimed to deliver a prognostic system that is capable of predicting certain failures before they occur and giving system operators the opportunity to more efficiently plan operations and maintenance (O&M) activity in order to lower costs and increase yield over the life of the system. The research identifies cost targets required for different monitoring stages, including at the string combiner, at the individual string, and at the module level, to lower the levelized cost of energy (LCOE). Finally, a comprehensive guide determines the value PV monitoring brings to PV field operations. The guide assists plant operators in maximizing value from existing plants and identify the trade-offs of different monitoring solutions for future plants depending on the size, location, and expected system lifetime.

14 SOLAR ENERGY↗

A Multi-Scale Computational Platform for Predictive Modeling of Corrosion in Al-Steel Joints (Final Report)

The research team proposed to develop innovative multi-scale models to predict corrosion and the resulting mechanical performances in aluminum-steel joints. The methods of joining considered are resistance spot welding, self-piercing riveting, and rivet-welding, all suitable for mass production applications. The multi-scale models integrate high throughput first-principle calculations based on density functional theory (DFT), high throughput calculation of phase diagrams (CALPHAD) modeling, and finite element method (FEM) simulations. These models are to be validated through laboratory experiments. Furthermore, the models are available as open source so as to enable scientists and engineers in the community to adapt and contribute to the development and application. The approaches rely on the research team’s extensive experience on the prediction of properties of individual phases at finite temperatures and variable compositions through DFT calculations, and our broad expertise on dissimilar material joining and their corrosion. The proposed computational framework enables high throughput computations for improved predictions of corrosion and the associated mechanical performance in dissimilar material joints, resulting in significant reduction in computational time needed by the current state-of-the-art methods. With the participation of researchers from three universities, an auto manufacturer, two manufacturing technology/equipment suppliers, and a software developer/vendor, the interdisciplinary research team applies the technical development on both phase-based modeling and laboratory experiments into the automobile body joining processes for validation and technology demonstration. The global cost of corrosion was estimated at about 3.4% of the global GDP in 2013. By using available corrosion control practices, it is estimated a saving between 15-35% of the cost of corrosion. In the U.S., more than $276 billion is spent repairing corrosion damage. Prediction of the corrosion and its impact on performance of the dissimilar material joints is critical for reducing the massive number of the current corrosion-based recalls for automobiles. Thus, the project goal is to develop models to enable predictive maintenance and end-of-life planning of multi-metal joints with risk of corrosion under different conditions such as exposure to high temperatures in summer and salt solutions in winter, quantified through its pH. An academia-industry consortium led by the University of Michigan and including Pennsylvania State University, University of Illinois Urbana-Champaign, University of Georgia, General Motors Company, Livermore Software Technology Corporation, and Optimal Process Technologies, LLC. created multi-scale models for prediction of corrosion in aluminum-steel joint structures such of them used in vehicle subassemblies – chassis and transmission systems. Starting from the first principle calculations, the team developed mathematical and data-driven models to predict the metallic components, which are formed during joining of two metals, for example aluminum and steel - a lightweight multilateral system which is currently used in more than 60% car bodies. These models were used for simulating chemical reactions that are happening when the joining metallic components are exposed to high temperatures and different pH values. The team was able to predict how the corrosion installs on the metallic components and how they lead to a sudden failure of components in cars. Newly developed machine learning algorithms combining Science, Technology, Engineering and Math disciplines, advanced finite element simulation and experimental validations have been integrated in a platform for prediction of the corrosion evolution and prediction the failure of joints under mechanical loadings and fatigue. Moreover, based on machine learning and inverse analysis, the team proposed solutions for designing new metallic alloys less susceptible to corrosion when joining multi-material assembles. An average of 4% error compared with experiments was achieved for the most common joints that are used in vehicle subassemblies.

36 MATERIALS SCIENCE↗

Galaxy emission line classification using three-dimensional line ratio diagrams

Two-dimensional (2D) line ratio diagnostic diagrams have become a key tool in understanding the excitation mechanisms of galaxies. The curves used to separate the different regions—H II-like or excited by an active galactic nucleus (AGN)—have been refined over time but the core technique has not evolved significantly. However, the classification of galaxies based on their emission line ratios really is a multi-dimensional problem. Here we exploit recent software developments to explore the potential of three-dimensional (3D) line ratio diagnostic diagrams. We introduce the ZQE diagrams, which are a specific set of 3D diagrams that separate the oxygen abundance and the ionization parameter of H II region-like spectra and also enable us to probe the excitation mechanism of the gas. By examining these new 3D spaces interactively, we define the ZE diagnostics, a new set of 2D diagnostics that can provide the metallicity of objects excited by hot young stars and that cleanly separate H II region-like objects from the different classes of AGNs. We show that these ZE diagnostics are consistent with the key log [N II]/Hα versus log [O III]/Hβ diagnostic currently used by the community. They also have the advantage of attaching a probability that a given object belongs to one class or the other. Finally, we discuss briefly why ZQE diagrams can provide a new way to differentiate and study the different classes of AGNs in anticipation of a dedicated follow-up study.

79 ASTRONOMY AND ASTROPHYSICS↗

Software Bill of Materials (SBOM) Sharing Lifecycle Report

As Software Bill of Materials (SBOM) adoption efforts mature, SBOM sharing continues to occur, but no single solution or set of solutions have become ubiquitous. The purpose of this report is to enumerate and describe the different parties and phases of the SBOM sharing lifecycle and assist readers in choosing suitable SBOM sharing solutions based on the amount of time, resources, subject-matter expertise, effort, and access to tooling that is available to the reader to implement a phase of the SBOM sharing lifecycle. The SBOM sharing lifecycle consists of the Discovery, Access, and Transport of an SBOM and this report details these individual phases and how an SBOM goes from author to the consumer. This report also details how potential enrichment activities may be performed on an SBOM to create a new product before or after it has been shared. The concept of a sophistication classification for SBOM sharing solutions is concurrently introduced with a focus on the inclusion or lack of certain features and effort associated with their implementation. Examples of low, medium, and high-sophistication solutions are provided; however, these examples and associated categorizations should not be seen as a qualitative judgment meant to push the reader towards a particular adoption strategy since sharing solutions are chosen based on the unique needs of the user. This report does recommend the SBOM community consider how to make current and future sharing solutions interoperable with each other as well as more automated methods to facilitate sharing and broader SBOM adoption. This report also highlights an SBOM sharing survey results obtained from interviews with stakeholders to understand the current SBOM sharing landscape. The categorized results of the survey suggest that SBOMs are currently transported directly to the receiver through email or similar informal communication mechanisms or alternatively the SBOM resides on a repository available to consumers. In addition to these transport methods, this report captures industry efforts to create private sharing solutions and services that can store and transport enrichment data and may use higher sophistication features that are cloud-based or using distributed ledger technologies.

97 MATHEMATICS AND COMPUTING↗

Angular-resolution and material-characterization measurements for a dual-particle imaging system with mixed-oxide fuel

A dual-particle imaging (DPI) system, capable of simultaneously imaging fast neutrons and gamma rays, has been operated in the presence of mixed-oxide (MOX) fuel to assess the system's angular resolution and material-characterization capabilities. The detection principle is based on the scattering physics of neutrons (elastic scattering) and gamma rays (Compton scattering) in organic and inorganic scintillators. The detection system is designed as a combination of a two-plane Compton camera and a neutron-scatter camera. The front plane consists of EJ-309 liquid scintillators and the back plane consists of interleaved EJ-309 and NaI(Tl) scintillators. MCNPX-PoliMi was used to optimize the geometry of the system and the resulting prototype was built and tested using a Cf-252 source as an SNM surrogate. A software package was developed to acquire and process data in real time. The software was used for a measurement campaign to assess the angular resolution of the imaging system with MOX samples. Measurements of two MOX canisters of similar isotopics and intensity were performed for 6 different canister separations (from 5° to 30°, corresponding to distances of 21 cm and 131 cm, respectively). The measurements yielded a minimum separation of 20° at 2.5 m (86-cm separation) required to see 2 separate hot spots. Additionally, the results displayed good agreement with MCNPX-PoliMi simulations. These results indicate an angular resolution between 15° and 20°, given the 5° step. Coupled with its large field of view, and its capability to differentiate between spontaneous fission and (α,n) sources, the DPI system shows its potential for nuclear-nonproliferation applications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

FAIR for AI: An interdisciplinary and international community building perspective

A foundational set of findable, accessible, interoperable, and reusable (FAIR) principles were proposed in 2016 as prerequisites for proper data management and stewardship, with the goal of enabling the reusability of scholarly data. The principles were also meant to apply to other digital assets, at a high level, and over time, the FAIR guiding principles have been re-interpreted or extended to include the software, tools, algorithms, and workflows that produce data. FAIR principles are now being adapted in the context of AI models and datasets. Here, we present the perspectives, vision, and experiences of researchers from different countries, disciplines, and backgrounds who are leading the definition and adoption of FAIR principles in their communities of practice, and discuss outcomes that may result from pursuing and incentivizing FAIR AI research. The material for this report builds on the FAIR for AI Workshop held at Argonne National Laboratory on June 7, 2022.

97 MATHEMATICS AND COMPUTING↗

Evaluation of System-Integrated Smart Grid Devices using Software- and Hardware-in-the-Loop

This paper presents a concise description of state-of-the-art real-time simulation-based testing methods and demonstrates how they can be used independently and/or in combination as an integrated development and validation approach for smart grid DERs and systems. A three-part case study demonstrating the application of this integrated approach at the different stages of development and validation of a system-integrated smart photovoltaic (PV) inverter is also presented. Laboratory testing results and perspectives from two international research laboratories are included in the case study.

14 SOLAR ENERGY↗

LaRIS: Targeting Portability and Productivity for LAPACK Codes on Extreme Heterogeneous Systems by Using IRIS

In keeping with the trend of heterogeneity in high-performance computing, hardware manufacturers and vendors are developing new architectures and associated software stacks (e.g., libraries) to harness the best possible performance from commonly used kernels (e.g., linear algebra kernels). However, kernels tuned for one architecture are not portable to others. Moreover, the coexistence of different architectures in a single node makes orchestration difficult. To address these challenges, we introduce LaRIS, a portable framework for LAPACK functionalities. LaRIS ensures a separation between linear algebra algorithms and vendor-library kernels by using the IRIS run time and IRIS-BLAS library. Such abstraction at the algorithm level makes the implementation completely agnostic to the vendor library and architecture. LaRIS uses the IRIS run time to dynamically select the vendor-library kernel and suitable processor architecture at run time. Through LU factorization, we demonstrate that LaRIS can fully utilize different heterogeneous systems by launching and orchestrating different vendor-library kernels without any change in the source code.

Monil, M. A. H.↗

Multi-Scenario Use Case based Demonstration of Buildings Cybersecurity Framework Webtool

The purpose of this paper is to demonstrate the cybersecurity and software capabilities of Buildings Cybersecurity Framework (BCF) webtool. The webtool is designed based on BCF document and existing NIST standards. It’s capabilities and features are depicted through a building usecase with four different investment scenarios geared towards improving the cybersecurity posture of the building. BCF webtool also facilitates implementation of the goals outlined in Presidential Executive Order (EO) on Strengthening the Cybersecurity of Federal Networks and Critical Infrastructure (May 2017. In realization of the EO goals, BCF includes five core elements: Identify, Protect, Detect, Respond, and Recover, to help determine various policy and process level vulnerabilities and provide mitigation strategies. With the BCF webtool, an organization can perform a cybersecurity self-assessment; determine the current cybersecurity posture; define investment based goals to achieve a target state; connect the cybersecurity posture with business processes, functions, and continuity; and finally, develop plans to answer critical organizational cybersecurity questions. In this paper, the webtool and its core capabilities are depicted by performing an extensive comparative assessment over four different scenarios.

Gourisetti, Sri Nikhil G.↗

SU-E-T-490: Independent Three-Dimensional (3D) Dose Verification of VMAT/SBRT Using EPID and Cloud Computing

Purpose: Dosimetric verification of VMAT/SBRT is currently performed on one or two planes in a phantom with either film or array detectors. A robust and easy-to-use 3D dosimetric tool has been sought since the advent of conformal radiation therapy. Here we present such a strategy for independent 3D VMAT/SBRT plan verification system by a combined use of EPID and cloud-based Monte Carlo (MC) dose calculation. Methods: The 3D dosimetric verification proceeds in two steps. First, the plan was delivered with a high resolution portable EPID mounted on the gantry, and the EPID-captured gantry-angle-resolved VMAT/SBRT field images were converted into fluence by using the EPID pixel response function derived from MC simulations. The fluence was resampled and used as the input for an in-house developed Amazon cloud-based MC software to reconstruct the 3D dose distribution. The accuracy of the developed 3D dosimetric tool was assessed using a Delta4 phantom with various field sizes (square, circular, rectangular, and irregular MLC fields) and different patient cases. The method was applied to validate VMAT/SBRT plans using WFF and FFF photon beams (Varian TrueBeam STX). Results: It was found that the proposed method yielded results consistent with the Delta4 measurements. For points on the two detector planes, a good agreement within 1.5% were found for all the testing fields. Patient VMAT/SBRT plan studies revealed similar level of accuracy: an average γ-index passing rate of 99.2± 0.6% (3mm/3%), 97.4± 2.4% (2mm/2%), and 72.6± 8.4 % ( 1mm/1%). Conclusion: A valuable 3D dosimetric verification strategy has been developed for VMAT/SBRT plan validation. The technique provides a viable solution for a number of intractable dosimetry problems, such as small fields and plans with high dose gradient.

60 APPLIED LIFE SCIENCES↗

SU-E-T-749: Thorough Calibration of MOSFET Dosimeters

Purpose: To improve the accuracy of the MOSFET calibration procedure by performing the measurement several times and calculating the average value of the calibration factor for various photon and electron energies. Methods: The output of three photon and six electron beams of Varian Trilogy linear accelerator SN 5878 was calibrated. Five reinforced standard sensitivity MOSFET dosimeters were placed in the calibration jig and connected to the Reader Module. As the backscatter material was used 7 cm of Virtual Water. The MOSFET dosimeters were covered with 1.5 cm thick bolus for the regular and SRS 6 MV beams, 3 cm bolus for 15 MV beam, 1.5 cm bolus for 6 MeV electron beam, and 2 cm bolus for the electron energies of 9, 12, 15, 18, and 22 MeV. The dosimeters were exposed to 100 MU, and the calibration factor was determined using the mobileMOSFET software. To improve the accuracy of calibration, this procedure was repeated ten times and the calibration factors were averaged. Results: As the number of calibrations was increasing the variability of calibration factors of different dosimeters was decreasing. After ten calibrations, the calibration factors for all five dosimeters were within 1% of one another for all energies, except 6 MV SRS photons and 6 MeV electrons, for which the variability was 2%. Conclusions: The described process results in calibration factors which are almost independent of modality or energy. Once calibrated, the dosimeters may be used for in-vivo dosimetry or for daily verification of the beam output. Measurement of the radiation dose under bolus and scatter to the eye are examples of frequent use of calibrated MOSFET dosimeters. The calibration factor determined for full build-up is used under these circumstances. To the best of our knowledge, such thorough procedure for calibrating MOSFET dosimeters has not been reported previously. Best Medical Canada provided MOSFET dosimeters for this project.

60 APPLIED LIFE SCIENCES↗

Thermal safety of ultrasound-enhanced ocular drug delivery: A modeling study

Purpose: Delivery of sufficient amounts of therapeutic drugs into the eye for treatment of various ocular diseases is often a challenging task. Ultrasound was shown to be effective in enhancing ocular drug delivery in the authors’ previous in vitro and in vivo studies. Methods: The study reported here was designed to investigate the safety of ultrasound application and its potential thermal effects in the eye using PZFlex modeling software. The safety limit in this study was set as a temperature increase of no more than 1.5 °C based on regulatory recommendations and previous experimental safety studies. Acoustic and thermal specifications of different human eye tissues were obtained from the published literature. The tissues of particular interest in this modeling safety study were cornea, lens, and the location of optic nerve in the posterior eye. Ultrasound application was modeled at frequencies of 400 kHz–1 MHz, intensities of 0.3–1 W/cm{sup 2}, and exposure duration of 5 min, which were the parameters used in the authors’ previous drug delivery experiments. The baseline eye temperature was 37 °C. Results: The authors’ results showed that the maximal tissue temperatures after 5 min of ultrasound application were 38, 39, 39.5, and 40 °C in the cornea, 39.5, 40, 42, and 43 °C in the center of the lens, and 37.5, 38.5, and 39 °C in the back of the eye (at the optic nerve location) at frequencies of 400, 600, 800 kHz, and 1 MHz, respectively. Conclusions: The ocular temperatures reached at higher frequencies were considered unsafe based on current recommendations. At a frequency of 400 kHz and intensity of 0.8 W/cm{sup 2} (parameters shown in the authors’ previous in vivo studies to be optimal for ocular drug delivery), the temperature increase was small enough to be considered safe inside different ocular tissues. However, the impact of orbital bone and tissue perfusion should be included in future modeling efforts to determine the safety of this method in the whole orbit especially regarding potential adverse optic nerve heating at the location of the bone.

60 APPLIED LIFE SCIENCES↗