HELICS: A Co-Simulation Framework for Scalable Multi-Domain Modeling and Analysis
Not Available
24 POWER TRANSMISSION AND DISTRIBUTION↗
SEARCH · Search NASA
Results for “multi-domain analysis”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Using Co-Simulation to Model Interconnect-Scale Power Systems from Loads to Generators
Co-simulation is a modeling technique that allows analysts to combine simulation tools and their corresponding models to exchange data during run-time, allowing the creation of larger and more complex models across heterogeneous domains. HELICS is a co-simulation platform developed over the past six years that has been shown to be effective for these multi-domain analysis. Recently, a HELICS-based analysis was completed where the ERCOT electrical interconnect in the United States was modeled in high detail from bulk power system generation to individual customer loads. This model was used to evaluate a flat-rate and transactive energy tariff with integrated wholesale and retail real-time and day-ahead energy markets. This modeling allows detailed analysis showing how the operations of the power system under these tariffs impact all actors in the power system, from individual customers to bulk power system operators.
co-simulation, HELICS, transactive energy system, ↗
A spectral multi-domain technique for analysis of chemically reacting flows
A technique is presented which models the chemical kinetics and flow kinematics of a nonionized air mixture passing through a fully resolved shock wave, thus alleviating the need for artificial viscosity. The quasi-one-dimensional Navier-Stokes equations and the species conversation equation are the governing equations. The validity of the multidomain Navier-Stokes algorithm is demonstrated via comparison with experiment.
Macaraeg, Michele G.↗
Integrated CFD modeling of gas turbine combustors
3D, curvilinear, multi-domain CFD analysis is becoming a valuable tool in gas turbine combustor design. Used as a supplement to experimental testing. CFD analysis can provide improved understanding of combustor aerodynamics and used to qualitatively assess new combustor designs. This paper discusses recent advancements in CFD combustor methodology, including the timely integration of the design (i.e. CAD) and analysis (i.e. CFD) processes. Allied Signal's F124 combustor was analyzed at maximum power conditions. The assumption of turbulence levels at the nozzle/swirler inlet was shown to be very important in the prediction of combustor exit temperatures. Predicted exit temperatures were compared to experimental rake data, and good overall agreement was seen. Exit radial temperature profiles were well predicted, while the predicted pattern factor was 25 percent higher than the harmonic-averaged experimental pattern factor.
Fuller, E. J.↗
Exploring the effects of interdependencies on energy systems in smart communities: A multi-domain modeling and quasi-Monte Carlo sensitivity analysis
Not provided.
Construction & Building Technology↗
An analysis of artificial viscosity effects on reacting flows using a spectral multi-domain technique
Standard techniques used to model chemically-reacting flows require an artificial viscosity for stability in the presence of strong shocks. The resulting shock is smeared over at least three computational cells, so that the thickness of the shock is dictated by the structure of the overall mesh and not the shock physics. A gas passing through a strong shock is thrown into a nonequilibrium state and subsequently relaxes down over some finite distance to an equilibrium end state. The artificial smearing of the shock envelops this relaxation zone which causes the chemical kinetics of the flow to be altered. A method is presented which can investigate these issues by following the chemical kinetics and flow kinetics of a gas passing through a fully resolved shock wave at hypersonic Mach numbers. A nonequilibrium chemistry model for air is incorporated into a spectral multidomain Navier-Stokes solution method. Since no artificial viscosity is needed for stability of the multidomain technique, the precise effect of this artifice on the chemical kinetics and relevant flow features can be determined.
Macaraeg, M. G.↗
An analysis of artificial viscosity effects on reacting flows using a spectral multi-domain technique
Analytical and experimental techniques for modeling the aerothermodynamics of hypersonic flight are assessed, together with the problems which will be encountered in developing reusable hypersonic vehicles. Emphasis is placed on a numerical coupling between a nonequilibrium chemistry model and hypersonic flow kinematics. Finite difference and finite element descriptions of flow fields in which molecules encounter a shock wave and undergo various motion (and thereby energy) transformations are discussed. The effects of artificial smearing of the shock wave are considered in terms of the resulting effects on the distribution of the energies and chemical composition of the transition region. Results are provided from schlieren photographs of shock-tube experiments, Navier-Stokes calculations of axisymmetric flow over a conical body, and calculations using a spectral multidomain approach for chemically reacting flows.
Macaraeg, Michele G.↗
PARP1-HPF1 structure and dynamics on nicked DNA suggest a mechanism for acute and localized ADP-ribosylation
PARP1 detection of DNA strand breaks allosterically leads to PARP1 synthesis of poly(ADP-ribose) modifications that signal DNA damage. HPF1 engages activated PARP1 to control modification site selection. Understanding of the mechanism of DNA break detection and catalytic activation is incomplete, due largely to limited structural information for full-length PARP1. Here, single-particle cryo-EM provides views of the full complement of PARP1 domains engaging a DNA single-strand break in the presence of HPF1 and a fragment of binding partner Timeless. Cryo-EM, single-molecule DNA dynamics, and small-angle X-ray scattering analysis indicate that PARP1 remains dynamic even when the multi-domain structure is organized on a DNA break, with the minimal catalytic region displaying high mobility relative to domains engaging damage. We propose that the organization of PARP1 domains on a DNA break releases a tethered, constitutively active catalytic region to modify molecules in a radius surrounding the DNA break site.
59 BASIC BIOLOGICAL SCIENCES↗
2004 Space Report: Environment and Strategy for Space Research at NATO's Research and Technology Organisation (RTO)
This report describes the motivation for and a strategy to enhance the NATO Research and Technology Organisation's (RTO) current space research effort to reflect NATO's growing military dependence on space systems. Such systems and services provided by these systems are critical elements of military operations. NATO uses space systems for operational planning and support, communication, radio navigation, multi-sensor and multi-domain demonstrations. Such systems are also used to promote regional stability. A quantitative analysis of work related to space in the NATO RTO showed that during the period of 1998 - 2004, 5% of the research pursued in the NATO RTO has been clearly focused on space applications. Challenging environmental and organizational barriers for increasing RTO space research were identified. In part, these include lack of sufficient space expertise representation on panels, the military sensitivity of space, current panel work loads and the need for specific technical recommendations from peers. A strategy for enhancing space research in the RTO is to create a limited-life Space Advisory Group (SAG) composed of Space Expert Consultants who are panel members with appropriate expertise and additional expertise from the nations. The SAG will recommend and find support in the nations for specific technical activities related to space in the areas of Space Science, Remote Sensing Data Analysis, Spacecraft Systems, Surveillance and Early Warning, Training and Simulation and Policy. An RTO Space Advisory Group will provide an organizational mechanism to gain recognition of RTO as a forum for trans-Atlantic defence space research and to enhance space research activities.
Woods-Vedeler, Jessica A.↗
Structural and Biophysical Properties of a [4Fe-4S] Ferredoxin-Like Protein from Synechocystis sp. PCC 6803 with a Unique Two Domain Structure
Electron carrier proteins (ECPs), binding iron-sulfur clusters, are vital components within the intricate network of metabolic and photosynthetic reactions. They play a crucial role in the distribution of reducing equivalents. In Synechocystis sp. PCC 6803, the ECP network includes at least nine ferredoxins. Previous research, including global expression analyses and protein binding studies, has offered initial insights into the functional roles of individual ferredoxins within this network. This study primarily focuses on Ferredoxin 9 (slr2059). Through sequence analysis and computational modeling, Ferredoxin 9 emerges as a unique ECP with a distinctive two-domain architecture. It consists of a C-terminal iron-sulfur binding domain and an N-terminal domain with homology to Nil-domain proteins, connected by a structurally rigid 4-amino acid linker. Notably, in contrast to canonical [2Fe-2S] ferredoxins exemplified by PetF (ssl0020), which feature highly acidic surfaces facilitating electron transfer with photosystem I reaction centers, models of Ferredoxin 9 reveal a more neutral to basic protein surface. Using a combination of electron paramagnetic resonance spectroscopy and square-wave voltammetry on heterologously produced Ferredoxin 9, this study demonstrates that the protein coordinates 2x[4Fe-4S]2+/1+ redox-active and magnetically interacting clusters, with measured redox potentials of -420 +/- 9 mV and -516 +/- 10 mV vs SHE. A more in-depth analysis of Fdx9's unique structure and protein sequence suggests that this type of Nil-2[4Fe-4S] multi-domain ferredoxin is well conserved in cyanobacteria, bearing structural similarities to proteins involved in homocysteine synthesis in methanogens.
cyanobacteria↗
General Pressurization Model in Simscape
System integration is an essential part of the engineering design process. The Ares I Upper Stage (US) is a complex system which is made up of thousands of components assembled into subsystems including a J2-X engine, liquid hydrogen (LH2) and liquid oxygen (LO2) tanks, avionics, thrust vector control, motors, etc. System integration is the task of connecting together all of the subsystems into one large system. To ensure that all the components will "fit together" as well as safety and, quality, integration analysis is required. Integration analysis verifies that, as an integrated system, the system will behave as designed. Models that represent the actual subsystems are built for more comprehensive analysis. Matlab has been an instrument widely use by engineers to construct mathematical models of systems. Simulink, one of the tools offered by Matlab, provides multi-domain graphical environment to simulate and design time-varying systems. Simulink is a powerful tool to analyze the dynamic behavior of systems over time. Furthermore, Simscape, a tool provided by Simulink, allows users to model physical (such as mechanical, thermal and hydraulic) systems using physical networks. Using Simscape, a model representing an inflow of gas to a pressurized tank was created where the temperature and pressure of the tank are measured over time to show the behavior of the gas. By further incorporation of Simscape into model building, the full potential of this software can be discovered and it hopefully can become a more utilized tool.
Servin, Mario↗
A spectral collocation solution to the compressible stability eigenvalue problem
A newly developed spectral compressible linear stability code (SPECLS) (staggered pressure mesh) is presented for analysis of shear flow stability, and applied to high speed boundary layers and free shear flows. The formulation utilizes the first application of a staggered mesh for a compressible flow analysis by a spectral technique. An order of magnitude less number of points is needed for equivalent accuracy of growth rates compared to those calculated by a finite difference formulation. Supersonic disturbances which are found to have oscillatory structures were resolved by a spectral multi-domain discretization, which requires a factor of three fewer points than the single domain spectral stability code. It is indicated, as expected, that stability of mixing layers is enhanced by viscosity and increasing Mach number. The mean flow involves a jet being injected into a quiescent gas. Higher temperatures of the injected gas is also found to enhance stability characteristics of the free shear layer.
Macaraeg, Michele G.↗
A Physics-Aligned Multi-Domain Machine Learning Framework for Time-Localised Diagnosis of Power Electronics Faults
This paper presents a physics-aligned framework for fault diagnosis in multi-phase power-electronic systems using cycle-synchronous windowing and multi-domain features derived from Fourier, wavelet, and Hilbert–Huang representations. While both logistic regression and multilayer perceptron (MLP) models achieve perfect performance under standard evaluation, blind unseen testing reveals a critical failure in a baseline MLP. This is shown to arise from model selection based on validation accuracy. Using validation-loss-based selection restores correct unseen performance and improves confidence. Feature ablation shows that Fourier and wavelet features dominate, while computational analysis indicates that feature extraction, particularly HHT, governs runtime.
Kumar, Praveen [ORNL] (ORCID:0000000291877857)↗
CAHS: Context-Aware Homology Search
Protein homology search is foundational to bioinformatics: it supports annotation transfer, structure/function inference, and evolutionary analysis over rapidly expanding sequence repositories (e.g., UniProtKB). Profile hidden Markov models (pHMMs), as implemented in HMMER, remain the most widely trusted approach because they provide statistically calibrated E-values; however, their gap behavior is fixed once a profile is trained, despite biological evidence that insertion/deletion tolerance varies across flexible loops and intrinsically disordered regions. We present CAHS (Context-Aware Homology Search), a lightweight query-time adapter for pHMM search that incorporates learned and biologically motivated signals without changing HMMER's downstream search pipeline or its calibrated E-value reporting. Given a query sequence, CAHS computes per-residue representations from a protein language model and a disorder predictor, maps these to profile coordinates, and modulates only match-state transition rows (gap-open and gap-extension probabilities) while preserving Plan7 constraints. We comprehensively evaluate CAHS across six structurally diverse protein families and multi-domain architectures against a 570k-sequence target corpus. CAHS expands detection capability, retrieving thousands of additional remote homologs at relaxed thresholds by maintaining alignment quality through flexible regions. For multi-domain proteins, context-aware modulation resolves 94% of fragmented alignments. Crucially, CAHS preserves hit-set invariance at stringent operating points (E<10-10), demonstrating increased statistical confidence without inflating false positives. Furthermore, sharper statistical distinction between homologs and background noise during early filter stages yields up to a 3.87× acceleration in end-to-end wall-clock time on high-performance computing clusters. Overall, CAHS illustrates a practical AI-for-science design pattern: augmenting a trusted probabilistic model with query-specific learned signals to improve interpretable, reproducible inference in data-rich biology.
Bhattaram, Swethasree [Georgia Institute of Techno↗
Structural and functional analyses of SARS-CoV-2 Nsp3 and its specific interactions with the 5’ UTR of the viral genome
ABSTRACT Non-structural protein 3 (Nsp3) is the largest open reading frame encoded in the SARS-CoV-2 genome, essential for the formation of double-membrane vesicles (DMV) wherein viral RNA replication occurs. We conducted an extensive structure-function analysis of Nsp3 and determined the crystal structures of the ubiquitin-like 1 (Ubl1), nucleic acid binding (NAB), β-coronavirus-specific marker (βSM) domains, and a sub-region of the Y domain of this protein. We show that the Ubl1, ADP-ribose phosphatase (ADRP), human SARS Unique (HSUD), NAB, and Y domains of Nsp3 bind the 5’ UTR of the viral genome and that the Ubl1 and Y domains possess affinity for recognition of this region, suggesting high specificity. The Ubl1-Nucleocapsid (N) protein complex binds the 5’ UTR with greater affinity than the individual proteins alone. Our results suggest that multiple domains of Nsp3, particularly Ubl1 and Y, shepherd the 5’ UTR of the viral genome during translocation through the DMV membrane, priming the Ubl1 domain to load the genome onto N protein. IMPORTANCE The largest protein encoded by the SARS-CoV-2 genome is Nsp3. In infected cells, this multi-domain protein forms a pore structure in the virus-induced double-membrane vesicles (DMV). We have incomplete data on Nsp3 molecular structure, and here, we describe crystal structures for multiple domains of Nsp3. It is thought that newly replicated viral RNA transits through the DMV pore; however, we possess incomplete data on which regions of Nsp3 actually interact with RNA. Here, we present data showing that five domains of Nsp3 interact with the 5’ UTR of the SARS-CoV-2 RNA, including the Y domain for which no function has ever been discovered. These data suggest that the pore structure plays an active role in recognizing the terminal end of the genome, transiting and loading the viral RNA onto the cytoplasmic nucleocapsid protein. These data help expand our knowledge of Nsp3 structure and function and the SARS-CoV-2 replication cycle.
Microbiology↗
Exploring Multilayer Network Models to Build a Scientific Basis for Integrated Deterrence: Final Report
The emerging multipolar international security environment represents a fundamental restructuring of global nuclear balance of power to include two nuclear peer competitors, growing non-peer nuclear threats, and concerns of nuclear latency from both allies and adversaries. Conflicts in the grey zone, cyber operations, mis- and disinformation campaigns, and emerging disruptive technologies like drones, and hypersonic missiles are becoming more prevalent. These present a risk of cross-domain and multi-domain conflicts that may not follow known escalatory patterns. In order to prepare for the new deterrence environment, it is critical to have quantitative and qualitative understandings of these cross-domain conflicts, their potential for escalation, and which systems they may impact. To that end, our team created a Multi-Layer Network (MLN) model of ‘integrated deterrence’ where instruments of national power are modeled as individual network graph layers that include efforts from all domains. We then evaluate the potential for escalation against escalation scenarios. Analysis of the escalation scenarios is then used to identify insights of potential risk and escalation within integrated deterrence.
45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA Earth Systems Digital Twins (ESDT)
"Similarly to artificial intelligence, which is now revolutionizing many aspects of our daily lives, Earth system digital twin technologies have the potential to revolutionize the way Earth Science research will be conducted in the future, and how results and knowledge from this research will provide information to support decision making and yield impactful societal benefits. An Earth System Digital Twin or ESDT is a dynamic and interactive information system that first provides a digital replica of the past and current states of the Earth or Earth system as accurately and timely as possible; second, allows for computing forecasts of future states under nominal assumptions and based on the current replica; and third, offers the capability to investigate many hypothetical scenarios under varying impact assumptions. In other words, an ESDT provides the integrated What-Now, What-Next, and What-If pictures of the Earth or Earth system, by continuously ingesting newly observed data and by leveraging multiple interconnected models, machine learning as well advanced computing and visualization capabilities. Digital twins have been developed in engineering since 2002, but the interest in digital twins for the Earth domain is more recent and stems from the convergence of several developments: - The huge amount of diverse data that has now been collected continuously for more than 50 years, and that is becoming more and more difficult to access, understand, and utilize. - At the same time, because of climate change and its impacts the information produced by all of this data is becoming of interest to many new non-traditional users for analyzing and predicting various phenomena. - Because of advances in computational and visualization capabilities and the parallel unprecedented development of machine learning (ML), extracting relevant information from these large amounts of data and running complex models faster has become possible. As a result, it is becoming necessary and possible to build intuitive and interactive frameworks that will enable users with various skill levels and/or organizational hierarchy levels to easily access large amounts of targeted information along with the relevant tools and models (Earth system and human activity models), to support them in analyzing and visualizing this information, to help them understand interactions among models, to visualize the potential outcomes of various impacts, and to support decision or policy making. The full power of digital twins is that, through an integrated representation and standardized tools and software technologies, the same digital replica can address the needs of multiple users at various resolutions (spatial and temporal) and for various applications (science, economic, policy, etc.) – “from farmer to scientist”. With all these interests at stake, the challenges of building optimal digital twins are many and complex. The first challenge is to determine if a Digital Twin should be global or local, and multi-domain or thematic. For example, some domains such as Climate or Weather will require a global Digital Twin or Digital Twin capabilities while science areas such as Biodiversity might be more local. We can also envision that multiple thematic ESDTs, e.g., Air Quality, Wildfires, Hydrology could be federated or provide input to other ESDTs, either on a regional level or to a more global ESDT. Overall, we can imagine a future “web” of Digital Twins co-existing in a hierarchy or in a network, and capable of being connected or federated depending on the needs. This last point brings up the very important challenge of interoperability, including standards and protocols that will need to be built into these systems from the beginning. Each individual digital twin would have full flexibility in internal construction but would need standards-based interfaces (input and output) or hooks to make it compatible with others. Another challenge when building digital twins will be to decide how to organize each digital replica. Based on the applications targeted by the DT under implementation, various amounts and types of raw data, Analysis Ready Data (ARD) and information will need to be incorporated. Depending on the required latencies and needs of the users, various solutions can be considered, including Data Cubes, Data Lakes, pointers, or computing information on demand. We envision that each ESDT will choose a solution adapted to its specific objectives. Another important challenge is the type(s) of visualization that will be used, as well as the level of interactivity and refresh rate that will be required. Again, this will depend on the objectives of the ESDT, but also on the various users’ needs. In most cases, several types of visualizations and human interfaces will need to be offered depending on the projected users of that system. In parallel to the challenges highlighted above, there are also many tools and technologies that will need to be developed or improved for all types of digital twins. Among those are improved machine learning technologies, for example providing explainability, but also ML techniques for causality and providing a better integration of physics models. Additionally, reliable uncertainty quantification methods will be needed for all ESDT components, from validating data fusion and assimilation to assessing the accuracy of ML models and weighing the values of decisions supported by those systems. This presentation introduces the ESDT concept, presents several ESDT use cases, and a proposed ESDT architecture framework, as well as various technologies being developed by the Advanced Information Systems Technology (AIST) Program."
Earth Science Remote Sensing; Information Systems↗