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At least 37 records · Page 2

Evolutionary pattern design for copolymer directed self-assembly

Directed assembly of block polymers is rapidly becoming a viable strategy for lithographic patterning of nanoscopic features. One of the key attributes of directed assembly is that an underlying chemical or topographic substrate pattern used to direct assembly need not exhibit a direct correspondence with the sought after block polymer morphology, and past work has largely relied on trial-and-error approaches to design appropriate patterns. In this work, a computational evolutionary strategy is proposed to solve this optimization problem. By combining the Cahn–Hilliard equation, which is used to find the equilibrium morphology, and the covariance-matrix evolutionary strategy, which is used to optimize the combined outcome of particular substrate–copolymer combinations, we arrive at an efficient method for design of substrates leading to non-trivial, desirable outcomes.

36 MATERIALS SCIENCE↗

High-Performance Design Patterns for Modern Fortran

This paper presents ideas for using coordinate-free numerics in modern Fortran to achieve code flexibility in the partial differential equation (PDE) domain. We also show how Fortran, over the last few decades, has changed to become a language well-suited for state-of-the-art software development. Fortran’s new coarray distributed data structure, the language’s class mechanism, and its side-effect-free, pure procedure capability provide the scaffolding on which we implement HPC software. These features empower compilers to organize parallel computations with efficient communication. We present some programming patterns that support asynchronous evaluation of expressions comprised of parallel operations on distributed data. We implemented these patterns using coarrays and the message passing interface (MPI). We compared the codes’ complexity and performance. The MPI code is much more complex and depends on external libraries. The MPI code on Cray hardware using the Cray compiler is 1.5–2 times faster than the coarray code on the same hardware. The Intel compiler implements coarrays atop Intel’s MPI library with the result apparently being 2–2.5 times slower than manually coded MPI despite exhibiting nearly linear scaling efficiency. As compilers mature and further improvements to coarrays comes in Fortran 2015, we expect this performance gap to narrow.

Haveraaen, Magne↗

Bi-material strip based temperature sensor design and optimization through thermo-mechanical multi-physics modeling

With the capability of additive manufacturing, complex structures are easily fabricated to achieve various design purposes. In this work, a bi-material strip temperature sensor with complex periodic pattern design is purposed and investigated through both the analytical modeling and multi-physics finite element analysis. Three design patterns are considered: standard, E-shape and S-shape. In the standard solid strip design, the curvature of the bi-material strip under temperature variation is in a linear relationship with the coefficient of thermal expansion (CTE) difference, but in a reciprocal relationship with the strip thickness. The curvature of the bi-material strip depends on the Young’s modulus ratio and layer thickness ratio of the two materials, but is independent of the magnitude of the materials’ Young’s modulus. Based on analytical derivation and numerical validation, the optimized design parameters can be provided. Compared to S-shape pattern design, E-shape pattern design can significantly increase the temperature sensitivity of the bi-material strip. An analytical prediction of the E-shape pattern’s temperature sensitivity is introduced and discussed. This work proves the concept that new design space becomes available with the capability of additive manufacturing, and provides the general design guideline for a bi-material strip based temperature sensor with possible design patterns.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Patterning Si at the 1 nm Length Scale with Aberration-Corrected Electron-Beam Lithography: Tuning of Plasmonic Properties by Design

Patterning of materials at single nanometer resolution allows engineering of quantum confinement effects, as these effects are significant at these length scales, and yields direct control over electro-optical properties. Silicon is by far the most important material in electronics, and the ability to fabricate Si-based devices of the smallest dimensions for novel device engineering is highly desirable. Here, the work presented here uses aberration-corrected electron-beam lithography combined with dry reactive ion etching to achieve both: patterning of 1-nm features and surface and volume plasmon engineering in Si. The nanofabrication technique employed here produces nanowires with a line edge roughness (LER) of 1 nm (3σ). In addition, this work demonstrates tuning of the Si volume plasmon energy by 1.2 eV from the bulk value, which is one order of magnitude higher than previous attempts of volume plasmon engineering using lithographic methods.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

INTERSECT Architecture Specification: System-of-systems Architecture (Version 0.5)

Oak Ridge National Laboratory (ORNL)’s Self-driven Experiments for Science / Interconnected ScienceEcosystem (INTERSECT) architecture project, titled “An Open Federated Architecture for the Laboratory of the Future”, creates an open federated hardware/software architecture for the laboratory of the future using a novel system of systems (SoS) and microservice architecture approach, connecting scientific instruments, robot-controlled laboratories and edge/center computing/data resources to enable autonomous experiments, “self-driving” laboratories, smart manufacturing, and artificial intelligence (AI)-driven design, discovery and evaluation. The architecture project is divided into three focus areas: design patterns; SoS architecture; and microservices architecture. The design patterns area focuses on describing science use cases as design patterns that identify and abstract the involved hardware/software components and their interactions interms of control, work and data flow. The SoS architecture area focuses on an open architecture specification for the federated ecosystem that clarifies terms, architectural elements, the interactions between them and compliance. The microservices architecture describes blueprints for loosely coupled microservices, standardized interfaces, and multi-programming language support. This document is the SoS Architecture specification only, and captures the system of systems architecture design for the INTERSECT Initiative and its components. It is intended to provide a deep analysis and specification of how the INTERSECT platform will be designed, and to link the scientific needs identified across disciplines with the technical needs involved in the support, development, and evolution of a science ecosystem. PLEASE NOTE: This is a working document and reflects current discussions and design activity among the authors. There may be inconsistencies within the document as different parts evolve at a different pace. We invite comments and thoughts from the public on this and following working drafts. The first finished version of this document is scheduled for release in September 2023.

97 MATHEMATICS AND COMPUTING↗

Java Software Extensibility Library

The Java Software Extensibility Library provides tools that help Java software developers produce flexible and extensible Java applications. The major components include a Plugin Library and a Polymorphic Map data structure. The Plugin Library provides developers with a Plugin Registry and a standard pattern for designing, versioning, registering, retrieving, and annotating plugins. It also enables advanced capabilities such as loading plugins at runtime, and creating/loading encrypted plugin packages. The Polymorphic Map data structure facilitates the storage and retrieval of objects of varying types within a single data structure; while maintaining type safety. The library also provides a standard design pattern for producing application-specific "Domain Maps" and "Closed Domain Maps".SAND2020-3816 M 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.

Fleschute, Christopher↗

INTERSECT Architecture Specification: Microservice Architecture (V.0.5)

Oak Ridge National Laboratory (ORNL)’s Self-driven Experiments for Science / Interconnected Science Ecosystem (INTERSECT) architecture project, titled “An Open Federated Architecture for the Laboratory of the Future”, creates an open federated hardware/software architecture for the laboratory of the future using a novel system of systems (SoS) and microservice architecture approach, connecting scientific instruments, robot-controlled laboratories and edge/center computing/data resources to enable autonomous experiments, “self-driving” laboratories, smart manufacturing, and artificial intelligence (AI)-driven design, discovery and evaluation. The project describes science use cases as design patterns that identify and abstract the involved hardware/software components and their interactions in terms of control, work and data flow. It creates a SoS architecture of the federated hardware/software ecosystem that clarifies terms, architectural elements, the interactions between them and compliance. It further designs a federated microservice architecture, mapping science use case design patterns to the SoS architecture with loosely coupled microservices, standardized interfaces and multi programming language support. The primary deliverable of this project is an INTERSECT Open Architecture Specification, containing the science use case design pattern catalog, the federated SoS architecture specification and the microservice architecture specification. This document represents the microservice architecture specification of the INTERSECT Open Architecture Specification.

97 MATHEMATICS AND COMPUTING↗

INTERSECT Architecture Specification: Microservice Architecture (V.0.9)

Oak Ridge National Laboratory (ORNL)’s Self-driven Experiments for Science / Interconnected Science Ecosystem (INTERSECT) architecture project, titled “An Open Federated Architecture for the Laboratory of the Future”, creates an open federated hardware/software architecture for the laboratory of the future using a novel system of systems (SoS) and microservice architecture approach, connecting scientific instruments, robot-controlled laboratories and edge/center computing/data resources to enable autonomous experiments, “self-driving” laboratories, smart manufacturing, and artificial intelligence (AI)-driven design, discovery and evaluation. The project describes science use cases as design patterns that identify and abstract the involved hardware/software components and their interactions in terms of control, work and data flow. It creates a SoS architecture of the federated hardware/software ecosystem that clarifies terms, architectural elements, the interactions between them and compliance. It further designs a federated microservice architecture, mapping science use case design patterns to the SoS architecture with loosely coupled microservices, standardized interfaces and multi programming language support. The primary deliverable of this project is an INTERSECT Open Architecture Specification, containing the science use case design pattern catalog, the federated SoS architecture specification and the microservice architecture specification. This document represents the microservice architecture specification of the INTERSECT Open Architecture Specification.

97 MATHEMATICS AND COMPUTING↗

Design-time performance modeling of compositional parallel programs

Performance models are powerful instruments for understanding the performance of parallel systems and uncovering their bottlenecks. Already during system design, performance models can help ponder alternative development options. However, creating a performance model – whether theoretically or empirically – for an entire application that does not exist yet is challenging. In this paper, we propose to generate performance models of full programs from performance models of their components using formal composition operators derived from parallel design patterns. As long as the design of the overall system follows such a pattern, its performance model can be predicted with reasonable accuracy without an actual implementation. In conclusion, we demonstrate our approach with design patterns of varying complexity, including pipeline, task pool, and eventually MapReduce, which is representative of a broad class of data-analytics applications.

97 MATHEMATICS AND COMPUTING↗

Emulating Multiple Inheritance in Fortran 2003/2008

Although the high-performance computing (HPC) community increasingly embraces object-oriented programming (OOP), most HPC OOP projects employ the C++ programming language. Until recently, Fortran programmers interested in mining the benefits of OOP had to emulate OOP in Fortran 90/95. The advent of widespread compiler support for Fortran 2003 now facilitates explicitly constructing object-oriented class hierarchies via inheritance and leveraging related class behaviors such as dynamic polymorphism. Although C++ allows a class to inherit from multiple parent classes, Fortran and several other OOP languages restrict or prohibit explicit multiple inheritance relationships in order to circumvent several pitfalls associated with them. Nonetheless, what appears as an intrinsic feature in one language can be modeled as a user-constructed design pattern in another language. The present paper demonstrates how to apply the facade structural design pattern to support a multiple inheritance class relationship in Fortran 2003. The design unleashes the power of the associated class relationships for modeling complicated data structures yet avoids the ambiguities that plague some multiple inheritance scenarios.

97 MATHEMATICS AND COMPUTING↗

Ultrasound preliminary cyber-physical evaluation

In this assessment, we focused on identifying unwanted RF emissions from the subject devices. This consisted of two major approaches: 1) Monitor for emitted RF during operation and ensure it is within expected bounds. 2) Inspect circuit board construction for any geometry or design patterns that could lead to RF emissions, whether intentional or unintentional. These patterns include: a) Single-ended PCB traces that could operate as an antenna. b) Insufficient shielding around typically “noisy” components such as switching power supplies. c) Free-hanging high-speed signal wires with no shielding that could emit RF. Suspicious components and design patterns were given a plausible reason to be included in the design. Any suspicious components or patterns warranted reason for deeper investigation. After more in-depth analysis no components were found to be intentionally malicious or had unexpected functionality.

42 ENGINEERING↗

A Pattern Language for High-Performance Computing Resilience

High-performance computing systems (HPC) provide powerful capabilities for modeling, simulation, and data analytics for a broad class of computational problems. They enable extreme performance of the order of quadrillion floating-point arithmetic calculations per second by aggregating the power of millions of compute, memory, networking and storage components. With the rapidly growing scale and complexity of HPC systems for achieving even greater performance, ensuring their reliable operation in the face of system degradations and failures is a critical challenge. System fault events often lead the scientific applications to produce incorrect results, or may even cause their untimely termination. The sheer number of components in modern extreme-scale HPC systems and the complex interactions and dependencies among the hardware and software components, the applications, and the physical environment makes the design of practical solutions that support fault resilience a complex undertaking. To manage this complexity, we developed a methodology for designing HPC resilience solutions using design patterns. We codified the well-known techniques for handling faults, errors and failures that have been devised, applied and improved upon over the past three decades in the form of design patterns. In this paper, we present a pattern language to enable a structured approach to the development of HPC resilience solutions. The pattern language reveals the relations among the resilience patterns and provides the means to explore alternative techniques for handling a specific fault model that may have different efficiency and complexity characteristics. Using the pattern language enables the design and implementation of comprehensive resilience solutions as a set of interconnected resilience patterns that can be instantiated across layers of the system stack.

Hukerikar, Saurabh↗

Pattern-based Modeling of High-Performance Computing Resilience

With the growing scale and complexity of high-performance computing (HPC) systems, resilience solutions that ensure continuity of service despite frequent errors and component failures must be methodically designed to balance the reliability requirements with the overheads to performance and power. Design patterns enable a structured approach to the development of resilience solutions, providing hardware and software designers with the building block elements for the rapid development of novel solutions and for adapting existing technologies for emerging, extreme-scale HPC environments. In this paper, we develop analytical models that enable designers to evaluate the reliability and performance characteristics of the design patterns. These models are particularly useful in building a unified framework that analyzes and compares various resilience solutions built using a combination of patterns.

Hukerikar, Saurabh↗

Electrical coupled Morris-Lecar neurons: From design to pattern analysis

In this study, an experimental electronic neuron based on Morris-Lecar model is presented, able to become an experimental unit tool to study collective association of robust coupled neurons. The circuit design is given according to the ionic currents of this model. A weak coupling of such neurons under Multisim Software can generate clusters based on the boundary conditions of the neurons and their initial conditions. For this study, we work in the region close to the fold bifurcation of limit cycles. In this region two limit cycles exist, one of the cycles is stable and another one is unstable.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Geo-temporal patterns to design cost-effective interventions for zoonotic diseases -the case of brucellosis in the country of Georgia

Control of zoonosis can benefit from geo-referenced procedures. Focusing on brucellosis, here the ability of two methods to distinguish disease dissemination patterns and promote cost-effective interventions was compared. Geographical data on bovine, ovine and human brucellosis reported in the country of Georgia between 2014 and 2019 were investigated with (i) the Hot Spot (HS) analysis and (ii) a bio-geographical (BG) alternative. More than one fourth of all sites reported cases affecting two or more species. While ruminant cases displayed different patterns over time, most human cases described similar geo-temporal features, which were associated with the route used by migrant shepherds. Other human cases showed heterogeneous patterns. The BG approach identified small areas with a case density twice as high as the HS method. The BG method also identified, in 2018, a 2.6–2.99 higher case density in zoonotic (human and non-human) sites than in non-zoonotic sites (which only reported cases affecting a single species) –a finding that, if corroborated, could support cost-effective policy-making. Three dissemination hypotheses were supported by the data: (i) human cases induced by sheep-related contacts; (ii) human cases probably mediated by contaminated milk or meat; and (iii) cattle and sheep that infected one another. This proof-of-concept provided a preliminary validation for a method that may support cost-effective interventions oriented to control zoonoses. To expand these findings, additional studies on zoonosis-related decision-making are recommended.

60 APPLIED LIFE SCIENCES↗