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The application of computer programs for predicting the noise-time histories and noise contours for five types of aircraft is reported. The aircraft considered are: (1) turbojet, (2) turbofan, (3) turboprop, (4) V/STOL, and (5) helicopter. Three principle considerations incorporated in the design of the noise prediction program are core effectiveness, limited input, and variable output reporting.
A numerical solution technique for two-dimensional EM waveguide problems is developed analytically and demonstrated. The frequency-domain waveguide problem is transformed to a time-dependent problem and treated following the limiting-amplitude principle; the wave-envelope technique is applied; and the resulting problem is solved numerically using a finite-difference scheme based on a variation of the finite-area method (Baumeister, 1977 and 1984). Results for several sample problems, obtained in 10 min or less of execution time on PCs, are presented in tables.
Magnetic materials are essential for energy generation and information devices, and they play an important role in advanced technologies and green energy economies. Currently, the most widely used magnets contain rare earth (RE) elements. An outstanding challenge of notable scientific interest is the discovery and synthesis of novel magnetic materials without RE elements that meet the performance and cost goals for advanced electromagnetic devices. Here, we report our discovery and synthesis of an RE-free magnetic compound, Fe 3 CoB 2 , through an efficient feedback framework by integrating machine learning (ML), an adaptive genetic algorithm, first-principles calculations, and experimental synthesis. Magnetic measurements show that Fe 3 CoB 2 exhibits a high magnetic anisotropy ( K 1 = 1.2 MJ/m 3 ) and saturation magnetic polarization ( J s = 1.39 T), which is suitable for RE-free permanent-magnet applications. Our ML-guided approach presents a promising paradigm for efficient materials design and discovery and can also be applied to the search for other functional materials.
This document is prepared as part of the Department of Energy’s Grid Modernization Laboratory Consortium (GMLC) 2.5.2 project, whose goal is to develop and socialize a common set of grid service definitions relevant to grid-related interactions with distributed energy resources (DER: responsive generation, storage, and loads), and to advance the concept and requirements of the Energy Services Interface (ESI) to the point of launching related interface standards and guides that can be implemented in communication protocols and business process definitions. The notion of “grid services” is integral to the definition of an ESI because a key principle of the ESI is that it permits coordination between grid operators and DER facilities in a way that is service-oriented, with an understanding of performance expectations. This document reviews the current state of grid service definitions, including those actively used in the market today as well as new services that have been proposed for future implementation. The document describes grid services used in transmission as well as distribution systems. In defining grid services, this document also distinguishes between two fundamental concepts: an “operational objective” and a “grid service,” which describes a generator’s or customer’s expected physical performance in delivering power to or consuming power from the grid.
This document is prepared as part of the Department of Energy’s Grid Modernization Laboratory Consortium (GMLC) 2.5.2 project, whose goal is to develop and socialize a common set of grid service definitions relevant to grid-related interactions with distributed energy resources (DER: responsive generation, storage, and loads) and to advance the concept and requirements of the Energy Services Interface (ESI) to the point of launching related interface standards and guides that can be implemented in communication protocols and business process definitions. The notion of grid services is associated with the definition of an ESI because a key principle of the ESI is that it permits coordination between grid operators and DER facilities in a way that is service-oriented with an understanding of performance expectations. The project investigated the current state of North American grid service definitions from various market operators and utilities, as well as the Federal Energy Regulatory Commission and the North American Electric Reliability Corporation, actively used today (Liu et al. 2022). This document builds on that work to propose terms and definitions for a set of grid service types that address operational objectives commonly found in power system operations. These grid service types derive from existing grid services used in bulk electric market operations, recognizing that each operational authority uses somewhat different names with variations on service performance parameters. Finding commonality at the wholesale or bulk system operation level will hopefully engender progress in seeking agreement on grid services for DER engagement at the distribution level in the emerging retail marketplace.
The principles underlying the design and use of magnetostrictive ultrasonic probes is illustrated by oscillograms and sketches. Attention is given to such concepts as magnetostrictive transduction, broadband pulse shaping, guided wave propagation, wave impedance, reflection, transmission, and attenuation coefficients, coupling methods, and impulse-induced resonance. A number of applications of such probes are discussed including the measurement of elastic moduli, temperature, and acoustic emission and resonance studies.
The classification of miscible and immiscible systems of binary alloys plays a critical role in the design of multicomponent alloys. By mining data from hundreds of experimental phase diagrams, and thousands of thermodynamic data sets from experiments and high-throughput first-principles (HTFP) calculations, we have obtained a comprehensive classification of alloying behavior for 813 binary alloy systems consisting of transition and lanthanide metals. Among several physics-based descriptors, the slightly modified Pettifor chemical scale provides a unique two-dimensional map that divides the miscible and immiscible systems into distinctly clustered regions. Based on an artificial neural network algorithm and elemental similarity, the miscibility of the unknown systems is further predicted and a complete miscibility map is thus obtained. Impressively, the classification by the miscibility map yields a robust validation on the capability of the well-known Miedema’s theory (95% agreement) and shows good agreement with the HTFP method (90% agreement). Our results demonstrate that a state-of-the-art physics-guided data mining can provide an efficient pathway for knowledge discovery in the next generation of materials design.
Conjugated molecules and polymers have the ability to be transformative semiconducting materials; however, to reach their full potential a detailed understanding of the factors governing the molecular structure is crucial for establishing design principles for improved materials. Creating planar or “locking” structures is of particular interest for tuning electronic properties. While noncovalent locks are an effective strategy for increasing planarity, the precise interactions leading to these planar structures are often unknown or mischaracterized. Here, we demonstrate that aromaticity can be used to investigate, interpret, and modify the complex physical interactions which lead to planarity. Furthermore, we clearly illustrate the important role aromaticity has in determining the structure through torsional preferences and find that modern noncovalent locks utilize hyperconjugation to alter aromaticity and increase planarity. We envision that our approach and our explanation of prevalent noncovalent locks will assist in the design of improved materials for organic electronics.
The application of silicon as ultrahigh capacity electrodes in lithium-ion batteries has been limited by a number of mechanical degradation mechanisms including fracture, delamination and plastic ratcheting, as a result of its large volumetric change during lithiation and delithiation. Graphene coating is one feasible technique to mitigate the mechanical degradation of Si anode and improve its conductivity. In this paper, first-principles calculations are performed to study the atomic structure, charge transfer and sliding strength of the interface between lithiated silicon and graphene. Our results show that Li atoms segregate at the (lithiated) Si-graphene interface preferentially, donating electrons to graphene and enhancing the interfacial sliding resistance. Moreover, the interfacial cohesion and sliding strength can be further enhanced by introducing single-vacancy defects into graphene. These findings provide insights that can guide the design of stable and efficient anodes of silicon/graphene hybrids for energy storage applications.
This reference guide for developers of intelligent monitoring systems is based on lessons learned by developers of the DEcision Support SYstem (DESSY), an expert system that monitors Space Shuttle telemetry data in real time. DESSY makes inferences about commands, state transitions, and simple failures. It performs failure detection rather than in-depth failure diagnostics. A listing of rules from DESSY and cue cards from DESSY subsystems are included to give the development community a better understanding of the selected model system. The G-2 programming tool used in developing DESSY provides an object-oriented, rule-based environment, but many of the principles in use here can be applied to any type of monitoring intelligent system. The step-by-step instructions and examples given for each stage of development are in G-2, but can be used with other development tools. This guide first defines the authors' concept of real-time monitoring systems, then tells prospective developers how to determine system requirements, how to build the system through a combined design/development process, and how to solve problems involved in working with real-time data. It explains the relationships among operational prototyping, software evolution, and the user interface. It also explains methods of testing, verification, and validation. It includes suggestions for preparing reference documentation and training users.
Synthetic polymers are highly customizable with tailored structures and functionality, yet this versatility generates challenges in the design of advanced materials due to the size and complexity of the design space. Thus, exploration and optimization of polymer properties using combinatorial libraries has become increasingly common, which requires careful selection of synthetic strategies, characterization techniques, and rapid processing workflows to obtain fundamental principles from these large data sets. Herein, we provide guidelines for strategic design of macromolecule libraries and workflows to efficiently navigate these high-dimensional design spaces. We describe synthetic methods for multiple library sizes and structures as well as characterization methods to rapidly generate data sets, including tools that can be adapted from biological workflows. We further highlight relevant insights from statistics and machine learning to aid in data featurization, representation, and analysis. This Perspective acts as a “user guide” for researchers interested in leveraging high-throughput screening toward the design of multifunctional polymers and predictive modeling of structure–property relationships in soft materials.
Proteins have been found to inhabit a diverse set of three-dimensional structures. The dynamics that govern protein interconversion between structures happen over a wide range of time scales-picoseconds to seconds. Our understanding of protein functions and dynamics is largely reliant upon our ability to elucidate physically populated structures. From an experimental structural characterization perspective, we are often limited to measuring the ensemble-averaged structure both in the steady-state and time-resolved regimes. Generating kinetic models and understanding protein structure–function relationships require atomistic knowledge of the populated states in the ensemble. Here, we present ensemble refinement methodologies that integrate time-resolved experimental signals with molecular dynamics models. We first discuss integration of experimental structural restraints to molecular models in disordered protein systems that adhere to the principle of maximum entropy for creating a complete set of ensemble structures. We then propose strategies to find kinetic pathways between the refined structures, using time-resolved inputs to guide molecular dynamics trajectories and the use of inference to generate tailored stimuli to prepare a desired ensemble of protein states.
Selective ion separations are central to technologies spanning water purification, resource recovery, and clean energy. Conventional polymer membranes, which rely on steric hindrance or Donnan exclusion, struggle to discriminate between chemically similar ions in high-ionic-strength environments. Ligand-functionalized membranes offer a transformative strategy by embedding molecular recognition directly into polymer matrices, enabling selective complexation and transport. Here, this Viewpoint highlights the structure–function relationships underlying ligand-mediated ion separation, emphasizing the interplay of dehydration penalties, ligand coordination, and nanoscale confinement. We discuss design principles, denticity, donor identity, rigidity, and spatial organization, alongside the permeability–selectivity trade-off, multicomponent effects, and stability challenges. Finally, we outline emerging strategies, from bioinspired ligands to computationally guided design, that chart a path toward next-generation membranes for precise and energy-efficient ion separations.
Core Ideas Soil vapor extraction (SVE) wells are an effective interim remediation technique. Flow and transport modeling assists in evaluation of vapor plume behavior. Plume simulations assuming drum failure and SVE provide a framework for remediation planning. A small borehole subset could be monitored for detection of VOC releases due to drum failure. Soil vapor extraction (SVE) has been used at sites across the Department of Energy complex, including sites where legacy subsurface wastes represent a potential source of groundwater contamination. At Los Alamos National Laboratory (LANL), leakage from waste drums buried at an inactive chemical waste site has created a subsurface vapor plume of volatile organic compounds (VOCs). Soil vapor extraction operation in 2015 and rebound testing through 2017 were successful in reducing the plume's mass and mitigating VOC migration toward the water table. However, the possibility that waste drums could fail and release VOCs could pose a challenge in the future. To explore the impacts of drum failure, as well as the capabilities of SVE remediation, we simulated hypothetical contaminant release scenarios and subsequent SVE remediation. Three‐dimensional subsurface VOC behavior, including advection, diffusion, and plume interactions with topography, were simulated using the porous flow simulator Finite Element Heat and Mass Transfer. Simulations of future site conditions have allowed identification of “sentry” boreholes that can be monitored for early detection in case of drum failure. Sentry boreholes can also be used to set concentration thresholds above which SVE should be initiated. For the LANL site, simulations show that SVE can be started 3 yr following drum failure and remain a viable remediation tool. More broadly, the principles outlined in this work can be used to support remediation planning at other subsurface waste sites. Predictive models of future releases can be analyzed to set concentration threshold values, guide selection of sentry boreholes, and increase operational efficiency.
The objective of this project was to design and implement a comprehensive educational and applied research program in Concentrated Solar Thermal Power (CSTP) and heliostat technologies at Northeastern University. In alignment with the U.S. Department of Energy's Heliostat Consortium (HelioCon) goals, the project aimed to expand student and public understanding of CSTP systems while simultaneously contributing to workforce development and the broader decarbonization strategy. A particular emphasis was placed on integrating hands-on student design projects and publicly disseminating educational content relevant to CSTP systems. The project addressed a critical gap in renewable energy education: CSTP and heliostats, despite their importance in utility-scale solar energy, are rarely included in standard mechanical engineering programs. This project established new pathways for students to engage with the topic through the creation of a 4-credit graduate/senior elective course, development of five industry-facing short courses, and the inclusion of CSTP-based capstone design projects. Over two academic years, 36 students across six senior design teams developed and tested technologies such as deformable heliostats, beacon-based tracking systems, and solar-powered pyrolizers for biomass-to-biochar conversion. Concurrently, 30 undergraduate and graduate students were enrolled in the new academic course centered around CSTP principles. To ensure the relevance and accessibility of the short course content, the project team engaged with industry professionals, technical policy stakeholders, and potential course participants through structured surveys and informal consultations. Feedback from 28 respondents guided the structure, length, and delivery format of the courses - resulting in a modular design broken into five workshops. The feedback emphasized the need for flexible, asynchronous delivery and practical case studies, particularly in areas such as heliostat control, thermal storage, and solar fuel production. This engagement helped align the courses with the evolving knowledge demands of the renewable energy workforce and ensured that participants from both technical and policy backgrounds could meaningfully benefit from the material. The research and educational activities advanced the understanding of heliostat control systems, optical performance under misalignment, and thermal system integration in solar-driven pyrolysis applications. Methods and designs explored in this project proved to be both technically effective and economically feasible at the lab scale. Prototypes were constructed using commercially available components and custom-fabricated elements, demonstrating that meaningful performance improvements can be achieved with modest material and fabrication costs, supporting the feasibility of student-led research in this field. The public benefit of this project is twofold. First, it cultivates a pipeline of engineers trained to be familiar with CSTP principles, an essential workforce need identified by the Department of Energy for achieving its 2030 cost and deployment targets. Second, it contributes openly accessible educational materials, course content, and experimental frameworks to the broader community, enabling other institutions to adopt or adapt similar programming. Through outreach activities, curriculum integration, and technical exposure, this project contributes to a more informed and capable renewable energy workforce while supporting innovation in heliostat and CSTP system design. A new technical report is being prepared to document the development of the course and its outcomes, with plans to publish it in the ASME Open Access Journal of Engineering to ensure global accessibility, free of cost.
Community energy assets bring the benefits of renewables to all energy system stakeholders, not just those with sufficient capital, land ownership, and resources. As the price of energy storage continues to decline and energy equity and justice principles are incorporated into policies and planning activities, Community Energy Storage (CES) is poised to follow in the footsteps of Community Solar’s (CS) success. Though CES is in its early stages and faces many unique challenges, it is an invaluable tool on the pathway to decarbonization, with the potential to increase renewable access, energy affordability, resilience, energy independence, wealth creation, and community empowerment. This paper provides a brief review of the history of CS, comparing the market and regulatory advances of CS to the current state of CES. The lessons learned from the rise of CS are then adapted to support those working to increase CES adoption in pursuit of a more equitable and sustainable energy system for all.
Deep neural networks (DNN) excel at extracting patterns. Through representation learning and automated feature engineering on large datasets, such models have been highly successful in computer vision and natural language applications. Designing optimal network architectures from a principled or rational approach however has been less than successful, with the best successful approaches utilizing an additional machine learning algorithm to tune the network hyperparameters. However, in many technical fields, there exist established domain knowledge and understanding about the subject matter. In this work, we develop a novel furcated neural network architecture that utilizes domain knowledge as high-level design principles of the network. We demonstrate proof-of-concept by developing IL-Net, a furcated network for predicting the properties of ionic liquids, which is a class of complex multi-chemicals entities. Compared to existing state-of-the-art approaches, we show that furcated networks can improve model accuracy by approximately 20-35%, without using additional labeled data. Lastly, we distill two key design principles for furcated networks that can be adapted to other domains.
Detection of novel threat agents presents several challenges, a principle one being the development of untargeted methods to screen an increasing number of threat chemicals whose exact structures are unknown. With the use of Machine Learning (ML) tools, we can guide the development of analytical methods for broad-spectrum detection of unbounded threat chemical families in complex mixtures. Toward this goal, we used nominal mass and high-resolution mass spectrometry data for hundreds of synthetic opioids and non-opioid compounds. We tested two ML techniques, logistic regression and random forest, to develop models towards a practical, implementable method for opioid detection. We found that of these tested ML methods, random forest models resulted in the highest validation accuracy (95+%) for both nominal mass and high-resolution classification of opioids versus non-opioids, with low false positive and false negative rates. The RF models were then used to successfully predict the classification of 10 compounds—five opioids and five non-opioids not part of the training and validation analysis. This application of ML is a critical step towards the development of field-deployable nominal mass spectrometers with ML-driven analyses for classification of emergent threats.