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At least 811 records · Page 45

Even Higher-Level Synthesis: An Exploration of AI Hardware Accelerators using HLS4ML

With the rise of artificial intelligence, the popularization of deep learning, and a constantly evolving industry, the demand for flexible and efficient tools has never been greater. As algorithms grow more complex, their runtime and energy consumption increase exponentially. Customized hardware accelerators, long used for specific mathematical operations, remain essential for managing modern applications' computational and power demands. Hardware accelerators can speed up complex computations by orders of magnitude, but their manual design and verification processes are often challenging and time-consuming. High-Level Synthesis (HLS) provides a solution by transforming high-level algorithm descriptions, typically written in C++ or SystemC, into synthesizable RTL suitable for hardware implementation. This approach reduces development time for RTL engineers while offering flexibility beyond what traditional handwritten RTL can provide. We extended this capability to the machine-learning domain with the open-source framework hls4ml, which allows neural networks trained in Python frameworks like Tensorflow or PyTorch to be synthesized into efficient hardware representations for the traditional FPGA and ASIC flows. This breakthrough addresses the growing need for reduced design turnaround and easy verification of ML hardware accelerators with low latency and power efficiency constraints. During this tutorial, we will demonstrate how Python complements HLS by simplifying the ML design process, bridging the gap between software and hardware development. Attendees will explore how we translate neural networks modeled in Python into fixed-point C++ models suitable for HLS workflows. We will dive into strategies like Value-Range Analysis and Quantization-Aware Training, which optimize these designs for deployment and evaluate their accuracy, power consumption, and energy efficiency. To exemplify these concepts, experts from Fermilab will share their experiences applying this technology to high-energy physics experiments, where real-time, low-latency processing is critical. Over the years, Fermilab engineers have demonstrated how deep neural networks, optimized for hardware using hls4ml, can meet the stringent requirements of trigger systems at the CERN Large Hadron Collider. These systems rely on rapid decision-making to process immense data volumes while retaining only the most relevant events for further analysis. The application of hls4ml has also been extended to innovative technologies like smart pixel arrays. These smart pixels integrate ML inference capabilities directly into sensor devices, enabling localized data processing at the pixel level. This approach drastically reduces the need to transmit raw data to external processing units, significantly decreasing power consumption and latency. By embedding neural networks within the pixel architecture, the smart pixels can identify and prioritize relevant data in real time, providing a highly efficient solution for edge computing in scenarios such as particle detectors and imaging systems. Fermilab's work highlights the potential of hardware-accelerated ML in scenarios where both speed and power efficiency are mission-critical. Through this tutorial, attendees will gain valuable insights into the challenges and solutions of deploying ML in hardware. Understanding how HLS and hls4ml streamline the development of neural network-based hardware accelerators is fundamental for the industry's future. Participants will learn how these technologies are shaping the future of AI and scientific computing.

Di Guglielmo, Giuseppe [Fermilab]↗

A comparison of efficiency-aware model-predictive control approaches for wave energy devices

In this study, we compare four different formulations of model predictive control that attempt to maximise electrical power generated by a wave energy converter (WEC). Control laws include (1) pure maximisation of mechanical power, (2) maximisation of mechanical power with a control penalty factor, (3) maximisation of electrical power using power conversion efficiency, and (4) maximisation of electrical power using the full electro-mechanical model of a system. For this study, a wave-to-wire model is developed for a floating spherical buoy connected to a permanent magnet synchronous generator. The performance of the controllers, including the mechanical and electrical power outputs, is compared in irregular wave conditions for the unconstrained and force-constrained scenarios. The results demonstrate that the controller designed to maximise mechanical power is not suitable for practical applications and may lead to negative electrical power output due to the non-ideal power take-off efficiency. Moreover, the replacement of the power take-off dynamics by the efficiency coefficient does not guarantee the maximum electrical power production.

16 TIDAL AND WAVE POWER↗

CAS without SCF—Why to use CASCI and where to get the orbitals

The complete active space self-consistent field (CASSCF) method has seen broad adoption due to its ability to describe the electronic structure of both the ground and excited states of molecules over a broader swath of the potential energy surface than is possible with the simpler Hartree–Fock approximation. However, it also has a reputation for being unwieldy, computationally costly, and un-black-box. Here, we discuss a class of alternatives, complete active space configuration interaction (CASCI) methods, paying particular attention to their application to electronic excited states. The goal of this Perspective is fourfold. First, we argue that CASCI is not merely an approximation to CASSCF, in that it can be designed to have important qualitative advantages over CASSCF. Second, we present several insights drawn from our experience experimenting with different schemes for computing orbitals to be employed in CASCI. Third, we argue that CASCI is well suited for application to nanomaterials. Lastly, we reason that, with the rise in new low-scaling approaches for describing multireference systems, there is a greater need than ever to develop new methods for defining orbitals that provide an efficient and accurate description of both static correlation and electronic excitations in a limited active space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Photon-Number-Dependent Hamiltonian Engineering for Cavities

Cavity resonators are promising resources for quantum technology, while native nonlinear interactions for cavities are typically too weak to provide the level of quantum control required to deliver complex targeted operations. Here we investigate a scheme to engineer a target Hamiltonian for photonic cavities using ancilla qubits. By off resonantly driving dispersively coupled ancilla qubits, we develop an optimized approach to engineering an arbitrary photon-number-dependent Hamiltonian for the cavities while minimizing the operation errors. Here, the engineered Hamiltonian admits various applications including canceling unwanted cavity self-Kerr interactions, creating higher-order nonlinearities for quantum simulations, and designing quantum gates resilient to noise. Our scheme can be implemented with coupled microwave cavities and transmon qubits in superconducting circuit systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

SoS-SDQN: System of Systems Software-defined Quantum Networking

Quantum networks are needed for quantum domain applications that may run across different network deployments - point-to-point, multi-node networks, and possibly across inter-domain quantum networks, like the quantum internet. Unlike classical computing networks, quantum networks involve heterogeneous systems nodes that currently require local and manual control. This needs a unified control approach to help them integrate, work seamlessly, and have global knowledge. Software-defined Networking (SDN) has been successfully leveraged in classical networking for seamless and software-driven control of network infrastructure and packet switching, but not in management of quantum network applications across heterogeneous systems. In this paper, we review the current state of the art and present early developments of a System-of-Systems Software-defined Quantum Networking architecture (SoS-SDQN), a generic architecture that supports software-driven quantum network experiments across heterogeneous quantum systems. The architecture modifies the generic SDN to address the domain requirements of quantum networks and proposes a multilevel SDQN to provide a global view of network status, running applications, and control of incorporated heterogeneous quantum systems. We also design and implement a SoS SouthBound Quantum Interface (SoS-SBQI), a quantum infrastructure protocol that abstracts automation of applications across the network.

Alnajjar, Anees [ORNL] (ORCID:0000000237101601)↗

UNITY: Unified Memory and Storage Space

UNITY is a 36-month project focused on providing design and evaluate a new distributed storage paradigm that unifies the traditionally distinct application views of memory- and file-based data storage into a single scalable and resilient environment. The project is a collaboration among Oak Ridge National Laboratory (ORNL, Lead institution), Los Alamos National Labs (LANL), and Georgia Tech (GT). The main contributions of the GT team have been around development of low level systems software for best leveraging the capabilities of new types of persistent memory technologies, and for development of methods for intelligent data management across memory/storage substrates with heterogeneous components. GT contributed the Phoenix library for optimized checkpoint/restart for HPC I/O for systems with non-volatile memory (NVM), the NVStream library for NVM-specialized streaming I/O for HPC workflows, the CoMerge, Mnemo and Kleio solutions for intelligent data management on NVM-based systems. These contributions result in significant improvements in both application performance and system efficiency.

97 MATHEMATICS AND COMPUTING↗

The Potential for Electrons to Molecules Using Solar Energy

Solar photovoltaics (PV) do and will continue to play an important role in the electric power sector and can potentially support other sectors that are in need of decarbonized energy sources. Chemicals such as hydrogen, ammonia, and hydrocarbons including ethylene are currently produced from natural gas and crude oil. Thus, processes to produce them emit carbon dioxide and other greenhouse gases both directly and in upstream feedstock recovery processes. Electrons-to-molecules (E2M) technologies are being developed to convert carbon dioxide, water, and atmospheric nitrogen to desired chemical products and they are large electricity loads. Thus, they are emerging as a potential applications for PV. In its essence, they can act as electrochemical energy storage, thereby providing a means to further utilize the energy generated from PV and store it in molecular form. E2M systems offer an array of potential products and system designs that can be tailored to different end-uses and applications. It involves electrochemical conversion which uses electricity to break molecular bonds and produce new molecules. Various electrochemical conversion technologies split water into hydrogen and oxygen, reduce carbon dioxide into other hydrocarbon molecules, and several other possible combinations. While this Chapter does not attempt to provide an exhaustive summary or analysis of the potential products from E2M systems, it does provide an initial overview of the potential opportunities and challenges for PV and E2M systems in this space. This Chapter considers the potential for E2M to produce key chemicals and fuels that currently rely on hydrocarbons for production, either as a reactant or a source of high-grade heat.

14 SOLAR ENERGY↗

Design and Optimization of Structured Multi-Functional Trapping Catalysts for Conversion of Hydrocarbons and NOx from Diesel and Advanced Combustion Engines

Oxides of nitrogen in the form of nitric oxide (NO) and nitrogen dioxide (NO 2 ) commonly referred to as NOx, is one of the two chemical precursors that lead to ground-level ozone, a ubiquitous air pollutant in urban areas. A major source of NOx is generated by equipment and vehicles powered by diesel engines, which have a combustion exhaust that contains NOx in the presence of excess O 2 . Vehicular emission control catalysts are ineffective in eliminating CO, hydrocarbons, and NOx during engine cold-start when exhaust temperatures are below 200°C. The objective of the project was to develop and demonstrate a multi-functional, catalyzed trap that enables vehicles with advanced combustion strategies to meet Tier 3 emissions standards while achieving the 150 °C challenge for sustained co-oxidation of HCs and CO and ≥90% NO trapping and release during warmup. Specifically, the multi-functional Lean HC+NOx (LHCNT) was developed for application in the exhaust aftertreatment of conventional diesel engines and engines having low temperature combustion (LTC) regimes. Activities included the design and synthesis of adsorbents and catalysts, screening and evaluation. Passive NOx absorbers (PNA), hydrocarbon (HC) traps, and oxidation catalysts (OC) were evaluated for use in series or as integrated devices. Predictive tools were developed utilizing the characterization and analysis of these materials, and an emission system was designed and optimized utilizing the catalyst systems. Microkinetic models were developed for the PNA for the simple NO-only feed and complex feed containing CO, H 2 , and model hydrocarbons (ethylene and dodecane). A first-principles, mechanistic-based model of the PNA was developed which utilized molecular-scale estimates (density functional theory) of energy barriers, mechanistic-based kinetics and realistic treatments of the flow and transport processes. Two new oxidation catalysts were developed (PdCu alloy, mixed copper-ceria-cobalt oxide), both of which significantly lessened the detrimental inhibition by CO on hydrocarbon and NO oxidation. A method for lessening the detrimental impact of CO on PNA activity was developed that involves use of an oxidation catalyst upstream of the PNA. The SwRI Ectolab TM burner system was applied to evaluate the baseline PNA material and confirmed performance comparable to the benchflow PNA studies using simulated exhaust. Spatially-resolved mass spectrometry (SpaciMS) was used to measure the transient spatial profiles of reacting species spanning the length of a three-function LHCNT containing PNA, HCT, and OC. The findings from this study provide diesel vehicle and catalyst companies valuable information to develop more cost effective emission control catalysts which helps to expand the use of more fuel efficient diesel power. The fundamental modeling and experimental tools and findings from this project can be applied to catalyst technologies used in the energy and chemical industries. The project led to 14 publications in the peer-reviewed literature with 2 additional currently under review. Finally, the project also led to training of several doctoral students who were placed in research jobs in industry and academia. Specifically, Mugdha Ambast (UH) has joined Cummins, Kevin Gu (UVa) has joined GM, and Abhay Gupta (UH) is to join Caterpillar.

02 PETROLEUM↗

Design and Optimization of Structured Multi-Functional Trapping Catalysts for Conversion of Hydrocarbons and NOx from Diesel and Advanced Combustion Engines

Oxides of nitrogen in the form of nitric oxide (NO) and nitrogen dioxide (NO 2 ) commonly referred to as NOx, is one of the two chemical precursors that lead to ground-level ozone, a ubiquitous air pollutant in urban areas. A major source of NOx is generated by equipment and vehicles powered by diesel engines, which have a combustion exhaust that contains NOx in the presence of excess O 2 . Vehicular emission control catalysts are ineffective in eliminating CO, hydrocarbons, and NO x during engine cold-start when exhaust temperatures are below 200°C. The objective of the project was to develop and demonstrate a multi-functional, catalyzed trap that enables vehicles with advanced combustion strategies to meet Tier 3 emissions standards while achieving the 150 °C challenge for sustained co-oxidation of HCs and CO and ≥90% NO trapping and release during warmup. Specifically, the multi-functional Lean HC+NOx (LHCNT) was developed for application in the exhaust aftertreatment of conventional diesel engines and engines having low temperature combustion (LTC) regimes. Activities included the design and synthesis of adsorbents and catalysts, screening and evaluation. Passive NOx absorbers (PNA), hydrocarbon (HC) traps, and oxidation catalysts (OC) were evaluated for use in series or as integrated devices. Predictive tools were developed utilizing the characterization and analysis of these materials, and an emission system was designed and optimized utilizing the catalyst systems. Microkinetic models were developed for the PNA for the simple NO-only feed and complex feed containing CO, H 2 , and model hydrocarbons (ethylene and dodecane). A first-principles, mechanistic-based model of the PNA was developed which utilized molecular-scale estimates (density functional theory) of energy barriers, mechanistic-based kinetics and realistic treatments of the flow and transport processes. Two new oxidation catalysts were developed (PdCu alloy, mixed copper-ceria-cobalt oxide), both of which significantly lessened the detrimental inhibition by CO on hydrocarbon and NO oxidation. A method for lessening the detrimental impact of CO on PNA activity was developed that involves use of an oxidation catalyst upstream of the PNA. The SwRI Ectolab TM burner system was applied to evaluate the baseline PNA material and confirmed performance comparable to the benchflow PNA studies using simulated exhaust. Spatially-resolved mass spectrometry (SpaciMS) was used to measure the transient spatial profiles of reacting species spanning the length of a three-function LHCNT containing PNA, HCT, and OC. The findings from this study provide diesel vehicle and catalyst companies valuable information to develop more cost effective emission control catalysts which helps to expand the use of more fuel efficient diesel power. The fundamental modeling and experimental tools and findings from this project can be applied to catalyst technologies used in the energy and chemical industries. The project led to 14 publications in the peer-reviewed literature with 2 additional currently under review. Finally, the project also led to training of several doctoral students who were placed in research jobs in industry and academia. Specifically, Mugdha Ambast (UH) has joined Cummins, Kevin Gu (UVa) has joined GM, and Abhay Gupta (UH) is to join Caterpillar.

42 ENGINEERING↗

The Design and Evaluation of Zero Trust Architecture for Electric Vehicle Charging Infrastructure: EVs @ Scale Series on EV Charging Station Cybersecurity

Implementing a zero trust architecture can significantly bolster the security of electric vehicle (EV) charging infrastructure. EV charging infrastructure includes numerous networked interfaces, each of which can present potential vulnerabilities. When these vulnerabilities are exploited, they can compromise the entire system, leading to severe operational and security risks. Zero trust is a security model that operates on the principle of "never trust, always verify," which helps manage the attack surface and limit the scope of any potential compromises. Fundamentally, this model ensures that no entity, whether inside or outside the network, is trusted by default. The design principles of zero trust include continuous verification, strict deny-by-default access controls, and micro-segmentation. Continuous verification ensures that every request is thoroughly checked, regardless of its origin. Strict access controls enforce the principle of least privilege, allowing users and devices only the minimum necessary access to perform their functions. Micro-segmentation involves dividing the network into smaller, isolated segments to prevent lateral movement in case of a breach. In the context of EV charging infrastructure, zero trust can be implemented through various strategies. For example, multi-factor authentication (MFA) can be required for engineers to access the management interfaces and control systems of charging stations. Real-time monitoring and analysis of network traffic can help detect and respond to anomalies. Systems that do not need to communicate with each other can be micro-segmented to enhance security. All communications should adhere to predefined policies to be permitted. Additionally, encrypting communications can protect sensitive information exchanged between chargers and management systems. This paper presents a zero trust architecture specifically designed for EV charging infrastructure. Implementing zero trust not only mitigates risks but also builds a resilient infrastructure capable of withstanding and quickly recovering from cyber threats. The architecture addresses six defined security objectives. A comprehensive test plan is developed to assess the architecture against these objectives, and the results of the evaluation are reported. This approach is essential for maintaining the reliability and integrity of EV charging services in an increasingly interconnected and vulnerable digital landscape. This is the first in a planned series of papers exploring the implementation of zero trust in EV charging infrastructure. Each paper will delve into different aspects and applications of zero trust, highlighting how various work processes and requirements can lead to distinct architectural designs. These architectures will be tailored to address specific security challenges and operational needs within the EV charging ecosystem, ensuring a robust and adaptable security framework.

33 ADVANCED PROPULSION SYSTEMS↗

Advanced Stirling Power Generation System for Combined Heat and Power

The goal of this project was the development of an advanced Free-Piston Stirling Engine (FPSE) power generation for combined heat and power application. The innovative approach used in this project was the use of Additively Manufactured (AM) for critical components of an FPSE. A Stirling convertor consists of three major components/subassemblies, 1) Stirling engine, 2) linear alternator, and 3) gas fuel burner. The primary focus of this project was the design of the FPSE. This engine was integrated with an ITC/Qnergy 1 kW linear alternator. The integrated convertor was then coupled to a gas burner.

09 BIOMASS FUELS↗

Switching Device-Cognizant Sequential Distribution System Restoration

This paper presents an optimization framework for sequential reconfiguration using an assortment of switching devices and repair process in distribution system restoration. Compared to existing studies, this paper considers types, capabilities and operational limits of different switching devices, making it applicable in practice. We develop a novel multi-phase method to find the optimal sequential operation of various switching devices and repair faulted areas. We consider circuit breakers, reclosers, sectionalizers, load breaker switches, and fuses. The switching operation problem is decomposed into two mixed-integer linear programming (MILP) subproblems. The first subproblem determines the optimal network topology and estimates the number of steps to reach that topology, while the second subproblem generates a sequence of switching operations to coordinate the switches. For repairing the faults, we design an MILP model that dispatches repair crews to clear faults and replace melted fuses. After clearing a fault, we update the topology of the network by generating a new sequence of switching operations, and the process continues until all faults are cleared. To improve the computational efficiency, a network reduction algorithm is developed to group line sections, such that only switchable sections are present in the reduced network. The proposed method is validated on the IEEE 123-bus and 8500-bus systems.

distribution system↗

Flexible Pilot Jobs Framework for Distributed High Throughput Computing

Experimental particle physics has been at the forefront of analyzing the world’s largest datasets for decades. The high-energy physics (HEP) community was among the first to develop suitable software and computing tools for this purpose. GlideinWMS is a Glidein-based workload management system whose purpose is to provide experiments like CMS at CERN, DUNE at Fermilab, and others, a way to access and efficiently use vast amounts of computing resources. This system wants to provide a simple way to submit jobs to a set of computing resources, that will be provided to users behind the scenes. Glideins are the pilot jobs executed on the worker nodes at the grid sites, performing operations such as hardware detection, environment setup, and error handling. After all these operations, they will launch the actual user job. Many grid sites are supported, such as shared clusters, Google CE, and AWS. My internship aimed to design and code a flexible pilot jobs framework that will replace the one used by GlideinWMS, developing a modular and flexible skeleton of the Glidein and adding further functionalities. My project also focused on the application of machine learning techniques as support to this management system.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Cummins PEM Fuel Cell System for Heavy Duty Applications

The motivation for this project was to develop a high-pressure 100+ kW fuel cell stack that can be used in a modular fashion to power HD applications up to 1 MW. One of the issues that was identified during fuel cell system integration was the need for extra space for heat rejection systems(radiators) as well as additional fans and associated energy consumption to compensate for lower operating temperatures of fuel cells compared to internal combustion (IC) engines. To maximize the heat rejection capability of existing water-based coolant systems that are prevalent on IC engine-based systems, fuel cell stack design was developed to withstand and operate at IC engine coolant temperatures or higher, which in turn helps to reduce the radiator size requirement.

08 HYDROGEN↗

Guidance on Including Social, Organizational and Technical Influences in Nuclear Utility and Plant Modernization Plans

The objective of this report is to provide the nuclear power industry with guidance on including socio-technical issues in plans developed for current and future modernization efforts. Socio-technical issues of concern include social, organizational and related technical aspects of modernized systems. These can be addressed using a set of systematic analysis and design methods developed to address socio-technical issues of the sort facing the nuclear power industry. The next phase of this work will involve developing and implementing a modernization plan that includes socio-technical tools and methods identified and discussed in a report by Dainoff and colleagues (2020). The plan is expected to be developed and implemented in cooperation with a nuclear utility that has expressed interest in participating. The Dainoff et al report provides the foundation for the present effort and presents a methodological tool set for analyzing socio-technical issues applicable to many modernization efforts. The tools described by Dainoff et al are based on principles of human factors engineering, safety engineering, and systems engineering and are discussed within the specific context of nuclear utility modernization and transformation efforts. It is expected that the plan and the concepts described in the current report will be developed and implemented with a nuclear utility partner. The plan developed with the nuclear utility partner will have a substantially higher level of detail than the guidance provided in this report, particularly with regard to details of plan logistics, etc.

99 GENERAL AND MISCELLANEOUS↗

Considerations for Developing a Regulatory Roadmap for Distributed Energy Resource (DER) Integration in Colombia

The USAID-NREL Partnership in Colombia, in conjunction with SURE and USEA, selected four action plan teams from the Young Professionals Leadership Program to receive tailored NREL technical assistance to support action plan implementation. The four plans selected represent various aspects associated with planning for the efficient integration of DERs, including electric mobility, residential and commercial energy applications, distributed generation modeling, and regulatory considerations. In response to national grid modernization, decentralization, digitalization, and electrification trends, CREG is looking to update Colombia's electric distribution code, with an emphasis on the integration of electric vehicles and charging stations, but also energy storage systems, non-conventional sources of renewable energy, and other distributed energy resources (DERs). CREG aims to establish the general steps that must be carried out to update the distribution code for the integration of DERs, with a view to the design and development of new markets. The objective of the TA provided to CREG was to support them in identifying and outlining the general processes and approaches to consider when updating Colombia's distribution code for the integration of electric vehicles, distributed renewable energy systems, and energy storage systems, with a view to the design and development of new markets.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Integrated Energy System Investigation for the Eastman Chemical Company, Kingsport, TN Facility

The industrial manufacturing industry is looking to implement new methods of energy production to ensure a consistent energy supply while reducing economic costs and environmental impacts. Much of the manufacturing industry relies on fossil fuels—primarily coal and natural gas—of which there are finite resources subject to price volatility due to an inelastic demand. These resources also come with significant negative environmental impacts related to emissions. While complete independence from fossil fuels is not immediately realistic, options are available to significantly reduce dependency on fossil fuel supplies, including integrated energy systems (IESs) which tightly couple nuclear energy source generators with energy consumers (i.e., industrial factories) to fulfill power and energy requirements. Once realized, optimized IESs may yield significant economic and environmental benefits over traditionally isolated generator and consumer facilities. This report presents a feasibility study for siting an IES to meet the steam and electricity needs of Eastman Chemical Company’s facility in Kingsport, Tennessee. This study explored reactor technology options, evaluation,and optimization,with a focus on meeting the facility’s operational and reliability requirements. This work is part of an ongoing effort by Eastman to be good environmental stewards and meet the demands of their customers by shifting to more environmentally sustainable solutions for their energy needs. Outcomes of this report are also of general interest and value to any design or development team seeking to deploy an IES,as many topics described herein are generally applicable to any nuclear power facility.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗