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NASA NTRS1997

Root-Raised Cosine Filter Implementation That Uses Canonical Signed Digits for High-Speed Digital Filter Applications

NASA Lewis Research Center's Space Communications Division has been investigating high-speed digital filters that can operate at a higher speed than those in current use for a digital modulator and demodulator (modem). Using the Canonical Signed Digits (CSD) number representation for filter coefficients is a very effective way to increase the filter's speed while reducing complexity in the digital filter hardware design. This approach is a good alternative to using an expensive parallel-processing design technique or custom, application-specific integrated circuits. Such integrated circuits may not be suitable for applications that require filter speeds faster than what application-specific integrated circuits digital signal processors can offer for a dedicated channel. When a communication channel is a dedicated, multiplication process--a costly, time-consuming process--it can be greatly simplified by a replacement of the filter coefficients with CSD numbers. A computer code written with the MATLAB software package runs the program and generates CSD-represented filter coefficients that are based on minimizing minimum mean square errors. Also, the Alta Group of Cadence's Signal Processing Workstation is used to simulate and analyze the CSD filter responses. The impulse response of the root-raised cosine filter that is used as a base model is defined. From this filter, a set of coefficients is sampled and stored in a file. For the all coefficients, the optimal CSD number for each coefficient is searched on the basis of the minimum-mean-square-errors criterion. Because the distribution of CSD numbers is not uniform, quantization errors tend to be bigger for coefficients greater than 1/2. To offset errors that occur in a region of coefficients between 1/2 to 1 and to better represent fractions with CSD numbers, an extra nonzero digit is allowed for any coefficients exceeding 1/2. This will greatly improve frequency response as well as intersymbol interference at the receiver. The frequency response of a set of collected CSD-represented filter coefficients was compared with the same filter that was conventionally implemented. Analyses show CSD-implemented filters perform as well as conventional filters. Comparison of eye diagrams and bit-error-rate curves between CSD filters and traditionally implemented filters are almost indistinguishable. However, filter complexity was reduced from almost 3.5 to 1 for CSD filters. Complete computer simulation results are available. In the near future, work will focus on building actual working digital filter hardware in a field programmable gate array (FPGA).

Kim, Heechul↗

DOE OSTI2022

Exploring the Use of Novel Spatial Accelerators in Scientific Applications

Driven by the need to find alternative accelerators which can viably replace GPUs in next-generation Supercomputing systems, this paper proposes a methodology to enable agile application/hardware co-design. The application-first methodology provides the ability to come up with design of accelerators while working with real-world workloads, available accelerators, and system software. The iterative design process targets a set of kernels in a workload for performance estimates that can prune the design space for later phases of detailed architectural evaluations. To this effect, in this paper, a novel data-parallel device model is introduced that simulates the latency of performance-sensitive operations in an accelerator including data transfers and kernel computation using multi-core CPUs. The use of off-the-shelf simulators, such as pre-RTL simulator Aladdin or multiple tools available for exploring the design of deep neural network accelerators (e.g., Timeloop) is demonstrated for evaluation of various accelerator designs using applications with realistic inputs. Examples of multiple device configurations that are instantiable in a system are explored to evaluate the performance benefit of deploying novel accelerators. The proposed device is integrated with a programming model and system software to potentially explore the impacts of high-level programming languages/compilers and low-level effects such as task scheduling on multiple accelerators. We analyze our methodology for a set of applications that represent high-performance computing (HPC) and graph analytics. The applications include a computational chemistry kernel realized using tensor contractions, triangle counting, GraphSAGE and Breadth-first Search. These applications include kernels such as dense matrix-dense matrix multiplication, sparse matrix-spare matrix multiplication, and sparse matrix-dense vector multiplication. Our results indicate potential performance benefits and insights for system design by including accelerators that realize these kernels along-side general purpose accelerators.

AI, codesign, Accelerated Computing, Modeling and ↗

DOE OSTI2023

Comparing Top-Down Proteoform Identification: Deconvolution, PrSM Overlap, and PTM Detection

Generating top-down tandem mass spectra (MS/MS) for complex mixtures of proteoforms has become possible through improvements in fractionation, on-line separation, dissociation, and mass analysis. The algorithms to match tandem mass spectra to sequences have undergone a parallel evolution, with both spectral alignment and peak matching being paired with diverse methods for scoring proteoform-spectral matches (PrSMs). This study assesses state-of-the-art algorithms for top-down identification through three distinct challenges. The first is identifying a large yield of PrSMs while controlling false discovery rate (FDR) in identifying thousands of proteoforms from complex cell lysates via four software workflows: ProSight Proteome Discoverer, TopPIC, Informed Proteomics, and pTop. The second is the deconvolution of data from both Thermo Orbitrap-class and Bruker maXis Q-TOF instruments to produce consistent precursor charge and mass determinations while generating fragment mass lists to optimize identification. The third attempts to detect diverse post-translational modifications (PTMs) in proteoforms from cow milk and human ovarian tissue. The data demonstrate that existing software suites produce admirable sensitivity, in some cases identifying a third of collected tandem mass spectra with FDR controlled below 2%; the overlap in these PrSMs, however, illustrates real value in searching data with multiple search engines. Differences among identification workflows seem to result from each search algorithm incorporating its own deconvolution algorithm. By transmitting deconvolution data from multiple deconvolution routes (Thermo Xtract, Bruker Auto MSn, Mascot Distiller, TopFD, and FLASHDeconv) to the downstream TopPIC search algorithm, we were able to detect common causes of deconvolution disagreement. The detection of PTMs was very inconsistent among search algorithms, with some workflows suggesting as little as 1% of PrSMs from cow’s milk were singly-phosphorylated while other workflows found that 18% of PrSMs were singly-phosphorylated. Taken together, these results make a strong argument for top-down researchers to adopt a standard practice of analyzing each MS/MS experiment with at least two different search engines.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Fast Muon Capture Monitoring in Mu2e with the CAPHRI Detector

The Mu2e experiment at Fermilab will search for the charged lepton flavor violating (CLFV) process of a neutrinoless muon-to-electron conversion in the field of an aluminum nucleus. Reaching the experiment’s target sensitivity requires precise normalization of the physics signal through accurate monitoring of the muon capture rate on the stopping target. For this purpose, the Calorimeter Precise High-Resolution Intensity detector (CAPHRI) has been developed. The detector is composed of four LYSO crystals installed in the upstream disk of the Mu2e calorimeter and read out with the standard calorimeter readout. CAPHRI measures the muon capture rate by detecting the characteristic 1.8~MeV gamma emission line of the $^{27}Al(\mu^−, \nu n \gamma) ^{26}Mg$ nuclear reaction. The fast, precise response enables injection-by-injection monitoring of proton beam intensity fluctuations. We report on the commissioning and performance characterization of CAPHRI. The response of each channel is calibrated at two SiPM overvoltages using both the intrinsic self-emission of the LYSO crystals and cosmic ray signals. In parallel, Monte Carlo simulations are used to evaluate the detector acceptance and the expected signal-to-background ratio under realistic running conditions. Preliminary results show a crystal light yield consistent with expectations and a channel inter-calibration at the 2--4% level. Simulation studies indicate that the detector acceptance and background rejection satisfy the requirements for physics operations, with about 1000 detected events per beam injection at a beam power of 1.5~kW. These results demonstrate that CAPHRI is an effective tool for beam monitoring and signal normalization in Mu2e.

Ciccarella, V. [Frascati; U. Rome La Sapienza (mai↗

NASA NTRS2015

GeneLab: A Systems Biology Platform for Spaceflight Omics Data

NASA's mission includes expanding our understanding of biological systems to improve life on Earth and to enable long-duration human exploration of space. Resources to support large numbers of spaceflight investigations are limited. NASA's GeneLab project is maximizing the science output from these experiments by: (1) developing a unique public bioinformatics database that includes space bioscience relevant "omics" data (genomics, transcriptomics, proteomics, and metabolomics) and experimental metadata; (2) partnering with NASA-funded flight experiments through bio-sample sharing or sample augmentation to expedite omics data input to the GeneLab database; and (3) developing community-driven reference flight experiments. The first database, GeneLab Data System Version 1.0, went online in April 2015. V1.0 contains numerous flight datasets and has search and download capabilities. Version 2.0 will be released in 2016 and will link to analytic tools. In 2015 Genelab partnered with two Biological Research in Canisters experiments (BBRIC-19 and BRIC-20) which examine responses of Arabidopsis thaliana to spaceflight. GeneLab also partnered with Rodent Research-1 (RR1), the maiden flight to test the newly developed rodent habitat. GeneLab developed protocols for maxiumum yield of RNA, DNA and protein from precious RR-1 tissues harvested and preserved during the SpaceX-4 mission, as well as from tissues from mice that were frozen intact during spaceflight and later dissected. GeneLab is establishing partnerships with at least three planned flights for 2016. Organism-specific nationwide Science Definition Teams (SDTs) will define future GeneLab dedicated missions and ensure the broader scientific impact of the GeneLab missions. GeneLab ensures prompt release and open access to all high-throughput omics data from spaceflight and ground-based simulations of microgravity and radiation. Overall, GeneLab will facilitate the generation and query of parallel multi-omics data, and deep curation of metadata for integrative analysis, allowing researchers to uncover cellular networks as observed in systems biology platforms. Consequently, the scientific community will have access to a more complete picture of functional and regulatory networks responsive to the spaceflight environment.. Analysis of GeneLab data will contribute fundamental knowledge of how the space environment affects biological systems, and enable emerging terrestrial benefits resulting from mitigation strategies to prevent effects observed during exposure to space. As a result, open access to the data will foster new hypothesis-driven research for future spaceflight studies spanning basic science to translational science.

proteomics↗

NASA NTRS1994

Operations automation

This is truly the era of 'faster-better-cheaper' at the National Aeronautics and Space Administration/Jet Propulsion Laboratory (NASA/JPL). To continue JPL's primary mission of building and operating interplanetary spacecraft, all possible avenues are being explored in the search for better value for each dollar spent. A significant cost factor in any mission is the amount of manpower required to receive, decode, decommutate, and distribute spacecraft engineering and experiment data. The replacement of the many mission-unique data systems with the single Advanced Multimission Operations System (AMMOS) has already allowed for some manpower reduction. Now, we find that further economies are made possible by drastically reducing the number of human interventions required to perform the setup, data saving, station handover, processed data loading, and tear down activities that are associated with each spacecraft tracking pass. We have recently adapted three public domain tools to the AMMOS system which allow common elements to be scheduled and initialized without the normal human intervention. This is accomplished with a stored weekly event schedule. The manual entries and specialized scripts which had to be provided just prior to and during a pass are now triggered by the schedule to perform the functions unique to the upcoming pass. This combination of public domain software and the AMMOS system has been run in parallel with the flight operation in an online testing phase for six months. With this methodology, a savings of 11 man-years per year is projected with no increase in data loss or project risk. There are even greater savings to be gained as we learn other uses for this configuration.

Boreham, Charles Thomas↗

NASA NTRS1997

Space and the Frontier Mythos: A Re-Examination

Some modern space philosophies emphasize the historical parallels between the conquest of the Martian frontier and the expansion into the American West. These parallels are used as a rationale for planning the exploration and large-scale settlement of Mars. However, many of these historical allegories are in error. Vast differences exist between the geographical realities of Mars and the western frontier. Furthermore, westward expansion took place within a set of political, economic, social, and technological circumstances that are unlikely to be repeated in Martian exploration. The physical conditions and geographical realities of the Martian frontier in exploration and settlement terms are closer to the Antarctic continent. The American West, which had been inhabited by humans for thousands of years, offered a relative degree of comfort to new arrivals. We do not find large numbers of people migrating to the Canadian High Arctic or other polar regions to live. The inhospitable nature of these polar regions are the major limitation to the human desire to live there. The conquest of the American West took place within the context of a complex set of circumstances. Americans believed they had a 'manifest destiny' to extend their civilization across the continent. Many people also went west in search of a better life: for gold, land or other opportunities. The technology also existed at that point to allow large numbers of people to head west on their own at minimal cost. The settlement of Mars will be far different. It is for these reasons that we believe Antarctica is a much better analog for the exploration of Mars. Therefore, Martian exploration and settlement plans should be adjusted accordingly.

Cockell, Charles S.↗

NASA NTRS1993

On the High- and Low- Altitude Limits of the Auroral Electric Field Region

Using measurements from the High Altitude Plasma Instrument (HAPI) on the Dynamics-Explorer 1 (DE-1) spacecraft and the Low Altitude Plasma Instrument (LAPI) on Dynamics Explorer 2 (DE 2), we investigate both die high altitude and low altitude extents of the auroral acceleration region. To infer the high altitude limit, we searched the HAPI data base for evidence of upward-directed auroral electric fields located above the spacecraft when the HAPI spacecraft is above 9000 km altitude. We find that such acceleration is common when DE-1 flies through die auroral oval at an altitude of 9,000-11,000 km. At altitudes above 11,000 km, the fraction of the orbits with evidence of at least a 1000 V potential drop above the spacecraft falls, becoming essentially zero above an altitude of 15,000 km. Above that altitude, small (100 V) potential drops are frequently observed, but only rarely are approx. 1 kV potentials observed, typically associated with polar cap or 'theta' arcs or westward traveling surges. To investigate the low-altitude limit of the auroral acceleration region, we use conjunctions of DE 1 and DE 2 along auroral field lines and match the upgoing fluxes of ionospheric ions observed by DE 2 with the flux of accelerated upgoing ions observed at DE 1. Calculating the ionospheric scale height from the ion and electron temperatures and assuming that the parallel flow velocity is independent of height above 800 km, we calculate the altitude at which the upwelling ionospheric ions are effectively completely lost to upward acceleration. The initial lowest-altitude acceleration process could be either a perpendicular acceleration or a parallel electric field, but it must be sufficient to give the entire distribution escape energy. We find that in the two cases studied, near the region of peak auroral potential drop the altitude of this acceleration was around 1700 km (near the O/H neutral crossover altitude), but was significantly higher (approx. 2000 km) near the edges of the arc, where the potential was lower. The composition of the upgoing ion beam was consistent with these heights, being predominately H(+) near the edges and O(+) near the peak.

Reiff, P. H.↗

DOE OSTI2025

Low-Energy Backgrounds in Solid-State Phonon and Charge Detectors

Solid-state phonon and charge detectors probe the scattering of weakly interacting particles, such as dark matter and neutrinos, through their low recoil thresholds. Recent advancements have pushed sensitivity to eV-scale energy depositions, uncovering previously unseen low-energy excess backgrounds. While some arise from known processes such as thermal radiation, luminescence, and stress, others remain unexplained. This review examines these backgrounds, their possible origins, and parallels to low-energy effects in solids, an understanding of which is essential for interpreting particle interactions at and below the eV scale.

coherent neutrino–nucleus scattering↗

NASA NTRS2018

Auto-Gopher-2 – An Autonomous Wireline Rotary Piezo-Percussive Deep Drilling Mechanism

Drilling deep into the subsurface of planetary bodies in the Solar System for samples acquisition enables critical capabilities for future NASA exploration missions in its quest to understand the origins of the Solar System and potentially the search for life. Such planetary bodies as Mars and Europa are key targets for potential missions that would require reaching great depths. Performing drilling while using minimal mass/volume systems and with low energy consumption are the main requirements that are imposed on such technologies. A wireline deep drill, called Auto-Gopher-2, is currently being developed as a joint effort between JPL and Honeybee Robotics Ltd. The Auto-Gopher II is a wireline rotary piezo-percussive deep drilling mechanism that combines formation breaking by rotating and piezoelectric actuator hammering and cuttings removal by rotating a fluted bit. The hammering mechanism is based on the Ultrasonic/Sonic Drill/Corer (USDC) mechanism that has been developed as an adaptable tool for many drilling and coring applications. The USDC uses an intermediate ball-shape free-mass to transform high frequency vibrations of a piezoelectric transducer horn tip into sonic hammering of the drill bit. The lessons learned from the previous studies are being implemented into the development of the Auto-Gopher-II, an autonomous deep wireline drill with integrated cuttings and sample management and drive electronics. Subsystems of the wireline drill are being developed in parallel at JPL and Honeybee Robotics, Ltd. Issues related to the bit and its ability to retain the cuttings for caching and removal are currently being addressed. This paper presents the development efforts of the piezoelectric actuator, cuttings removal and retention flutes and drive electronics.

Bar-Cohen, Yoseph↗

DOE OSTI2026

HARMONY: Large-Scale Architecture Search for Efficient Hybrid Language Models

As large language models scale to trillions of parameters, their computational and memory requirements present critical challenges for efficient training and deployment. While Mixture of Experts (MoE) architectures enable efficient scaling through sparse parameter activation, and state-space models like Mamba offer linear-time complexity, principled methods for combining these paradigms remain undeveloped. We introduce HARMONY (Hybrid Architecture Research for Mamba, Optimized with Neural efficiencY), a multi-objective evolutionary neural architecture search framework for discovering efficient hybrid language models that integrate Transformer attention mechanisms, Mixture-of-Experts routing, and Mamba state-space components. Through large-scale distributed search using 16,384 MI250X GPUs on the Frontier supercomputer, HARMONY explores a comprehensive design space encompassing six attention variants (MHA, MQA, GQA, MLA, SWA, and Mamba-2), variable MoE configurations with both routed and shared experts, and extensive Mamba hyperparameters. Our framework discovers heterogeneous architectures that balance training performance with computational efficiency through multi-objective optimization incorporating latency penalties and fitness-based selection. Analysis of discovered architectures reveals that optimal hybrid designs favor heterogeneous component mixing rather than homogeneous patterns, with Mamba-2 and Multi-Head Latent Attention (MLA) emerging as preferred mechanisms. Discovered architectures demonstrate superior training efficiency: our best configuration achieves a final perplexity of 1.0874 with 2.38B parameters while processing 4,320 tokens/second, outperforming significantly larger manually designed models. Full-scale evaluation shows HARMONY's top architectures achieve better loss trajectories than equivalently-sized models using state-of-the-art configurations including Mixtral, Jamba, and Samba. Additionally, we demonstrate 91% weak scaling efficiency when training discovered 36B-parameter models across 1,024 GPUs. HARMONY is released as an open framework with comprehensive tools for building and training hybrid models using expert-data-pipeline parallelism, democratizing access to automated architecture design for next-generation language models.

Herron, Emily [ORNL] (ORCID:0000000273008172)↗

DOE OSTI2025

Thermal and kinematic properties of ejecta in SN1987A revealed by XRISM

We present an analysis of high-resolution spectra from the shock-heated plasmas in SN 1987A, based on an observation using the Resolve instrument onboard the X-Ray Imaging and Spectroscopy Mission (XRISM). The 1.7–10 keV Resolve spectra are accurately represented by a single-component, plane-parallel shock plasma model, with a temperature of $2.84_{-0.08}^{+0.09}$ keV and an ionization parameter of $2.64_{-0.45}^{+0.58}$ × $10^{11}\,\,{\rm s\,\, cm}^{-3}$. The Resolve spectra are also well reproduced by the 3D magneto-hydrodynamic simulation presented by Orlando et al. (2020, A&A, 636, A22) suggesting substantial contribution from the ejecta. The metal abundances obtained with Resolve align with the Large Magellanic Cloud value, indicating that the X-rays in 2024 originate from “non-metal-rich” shock-heated ejecta and the reverse shock has not reached the inner metal-rich region of ejecta. Doppler widths of the atomic lines from Si, S, and Fe correspond to velocities of 1500–1700 km s$^{-1}$, where the thermal broadening effects in this non-metal-rich plasma are negligible. Therefore, the line broadening seen in Resolve spectra is determined by the large bulk motion of ejecta. For reference, we determined a $90\%$ upper limit on non-thermal emission from a pulsar wind nebula at $4.3 \times 10^{-13}$ erg cm$^{-2}$ s$^{-1}$ in the 2–10 keV range, aligning with NuSTAR findings by Greco et al. (2022, ApJ, 931, 132). Additionally, we searched for the $^{44}$Sc K line feature and found a $1\sigma$ upper limit of $1.0 \times 10^{-6}$ photons cm$^{-2}$ s$^{-1}$, which translates to an initial $^{44}$Ti mass of approximately $2 \times 10^{-4}\, M_{\odot }$, consistent with previous X-ray to soft gamma-ray observations (Boggs et al. 2015, Science, 348, 670; Grebenev et al. 2012, Nature, 490, 373; Leising 2006, ApJ, 651, 1019).

ISM: supernova remnants↗

NASA NTRS1998

Fifteen Years of Laboratory Astrophysics at Ames

Tremendous strides have been made in our understanding of interstellar material over the past fifteen years thanks to significant, parallel developments in two closely related areas: observational astronomy and laboratory astrophysics. Fifteen years ago the composition of interstellar dust was largely guessed at, the concept of ices in dense molecular clouds ignored, and the notion of large, abundant, gas phase, carbon-rich molecules widespread throughout the interstellar medium (ISM) considered impossible. Today the composition of dust in the diffuse ISM is reasonably well constrained to cold refractory materials comprised of amorphous and crystalline silicates mixed with an amorphous carbonaceous material containing aromatic structural units and short, branched aliphatic chains. In the dense ISM, these cold dust particles are coated with mixed-molecular ices whose compositions are very well known. Lastly, the signature of carbon-rich polycyclic aromatic hydrocarbons (PAHs), shockingly large molecules by early interstellar chemistry standards, is widespread throughout the ISM. This great progress has only been made possible by the close collaboration of laboratory experimentalists with observers and theoreticians, all with the goal of applying their skills to astrophysical problems of direct interest to NASA programs. Such highly interdisciplinary collaborations ensure fundamental, in depth coverage of the wide-ranging challenges posed by astrophysics. These challenges include designing astrophysically focused experiments and data analysis, tightly coupled with astrophysical searches spanning 2 orders of magnitude in wavelength, and detailed theoretical modeling. The impact of our laboratory has been particularly effective as there is constant cross-talk and feedback between quantum theorists; theoretical astrophysicists and chemists; experimental physicists; organic, physical and petroleum chemists; and infrared and UV/Vis astronomers. In this paper, two examples of the Ames Program will be given. We have been involved in identifying 9 out of the 14 interstellar pre-cometary ice species known, determined their abundances and the physical nature of the ice structure. Details on our ice work are given in the paper by Sandford et al. Our group is among the pioneers of the PAH model. We built the theoretical framework, participated in the observations and developed the experimental techniques needed to test the model. We demonstrated that the ubiquitous infrared emission spectrum associated with many interstellar objects can be matched by laboratory spectra of neutral and positively charged PAHs and that PAHs were excellent candidates for the diffuse interstellar band (DIB) carriers. See Salama et al. and Hudgins et al.

Allamandola, L. J.↗

NASA NTRS2017

Towards a Universal Biology: Is the Origin and Evolution of Life Predictable?

The origin and evolution of life seems an unpredictable oddity, based on the quirks of contingency. Celebrated by the late Stephen Jay Gould in several books, "evolution by contingency" has all the adventure of a thriller, but lacks the predictive power of the physical sciences. Not necessarily so, replied Simon Conway Morris, for convergence reassures us that certain evolutionary responses are replicable. The outcome of this debate is critical to Astrobiology. How can we understand where we came from on Earth without prophesy? Further, we cannot design a rational strategy for the search for life elsewhere - or to understand what the future will hold for life on Earth and beyond - without extrapolating from pre-biotic chemistry and evolution. There are several indirect approaches to understanding, and thus describing, what life must be. These include philosophical approaches to defining life (is there even a satisfactory definition of life?), using what we know of physics, chemistry and life to imagine alternate scenarios, using different approaches that life takes as pseudoreplicates (e.g., ribosomal vs non-ribosomal protein synthesis), and experimental approaches to understand the art of the possible. Given that: (1) Life is a process based on physical components rather than simply an object; (2). Life is likely based on organic carbon and needs a solvent for chemistry, most likely water, and (3) Looking for convergence in terrestrial evolution we can predict certain tendencies, if not quite "laws", that provide predictive power. Biological history must obey the laws of physics and chemistry, the principles of natural selection, the constraints of an evolutionary past, genetics, and developmental biology. This amalgam creates a surprising amount of predictive power in the broad outline. Critical is the apparent prevalence of organic chemistry, and uniformity in the universe of the laws of chemistry and physics. Instructive is the widespread occurrence of convergent or parallel evolution, which suggests that under certain conditions similar solutions are arrived at independently.

Universal biology; life everywhere↗

DOE OSTI2024

IDAES-PSE 2.5.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost, most environmentally sustainable solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications. IDAES-PSE 2.5.0 Release Highlights Upcoming Changes IDAES will be switching to the new Pyomo solver interface in the next release. Whilst this will hopefully be a smooth transition for most users, there are a few important changes to be aware of. The new solver interface uses a different version of the IPOPT writer (“ipopt_v2”) and thus any custom configuration options you might have set for IPOPT will not carry over and will need to be reset. By default, the new Pyomo linear presolver will be activated with ipopt_v2. Whilst are working to identify any bugs in the presolver, it is possible that some edge cases will remain. IDAES will begin deploying a new set of scaling tools and APIs over the next few releases that make use of the new solver writers. The old scaling tools and APIs will remain for backward compatibility but will begin to be deprecated. New Models, Tools and Features New diagnostics check for near-parallel variables and constraints. New diagnostics tools for identifying causes of infeasibility in models. New example for creating a custom model of a liquid-liquid extractor unit operation. Bug Fixes Fixed bug in Gibbs reactor that caused it to appear to have additional spurious degrees of freedom. Fixed bug in the Modular Property Framework that would cause errors when trying to use phase-based material balances with phase equilibria. Fixed bug in Modular Properties Framework that caused errors when initializing models with non-vapor-liquid phase equilibria. Testing and Robustness Deployed the IDAES Diagnostics Toolbox to confirm that there are no structural or numerical issues in the core model libraries. Additional robustness tests for core model, and some associated improvements in the converge tester class. Fixed a number of issues that were causing unexpected warnings to be emitted during testing. Deprecations and Removals Removed examples for RIPE tool which has not been supported for a number of releases.

AS↗

DOE OSTI2024

IDAES-PSE 2.7.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications. IDAES-PSE 2.7.0 Release Highlights New features: AutoScaler and CustomScalerBase classes: Such tools are the core of the new scaling framework being implemented in IDAES. Wider adoption of scaling tools among users will result in quicker and more robust model solutions. Scaler for equilibrium reactor and saponification properties: These scaler models are examples to follow for how to use the new scaling tools. ONNX Surrogate support from Optimization & Machine Learning Toolkit (OMLT): ONNX is an open standard format to save and load ML/AI models that is widely supported by all major frameworks. This capability makes it easier for IDAES users to create surrogate models and use them without having to support each framework individually. 1D Membrane Model for CO2 Capture and Utilization: Supports ongoing efforts for modeling and optimizing polymer membrane processes for CO2 capture and conversion into formic acid. StreamScaler unit model: Unrelated to the CustomScalerBase, this unit model allows a stream’s extensive variables to be scaled by a fixed factor. This allows streams being processed by multiple units in parallel to be scaled down to unit scale and scaled back up to process scale. Bug fixes or improvements: Scaling, EoS, Diagnostics tool, Modular Properties, tests & documentation Deprecations: Old Cubic EoS

AS↗

NASA NTRS1980

Solid-propellant rocket motor internal ballistics performance variation analysis, phase 5

The results of research aimed at improving the predictability of internal ballistics performance of solid-propellant rocket motors (SRM's) including thrust imbalance between two SRM's firing in parallel are presented. Static test data from the first six Space Shuttle SRM's is analyzed using a computer program previously developed for this purpose. The program permits intentional minor design biases affecting the imbalance between any two SMR's to be removed. Results for the last four of the six SRM's, with only the propellant bulk temperature as a non-random variable, are generally within limits predicted by theory. Extended studies of internal ballistic performance of single SRM's are presented based on an earlier developed mathematical model which includes an assessment of grain deformation. The erosive burning rate law used in the model is upgraded and made more general. Excellent results are obtained in predictions of the performances of five different SRM's of quite different sizes and configurations. These SRM's all employ PBAN type propellants with ammonium perchlorate oxidizer and 16 to 20% aluminum except one which uses carboxyl terminated butadiene binder. The only non-calculated parameters in the burning rate equations that are changed for the different SRM's are the zero crossflow velocity burning rate coefficients and exponents. The results, in general, confirm the importance of grain deformation. The improved internal ballistic model makes practical development of an effective computer program for application of an optimization technique to SRM design which is also demonstrated. The program uses a pattern search technique to minimize the difference between a desired thrust-time trace and one calculated based on the internal ballistic model.

Sforzini, R. H.↗

NASA NTRS1996

From Competence to Efficiency: A Tale of GA Progress

Genetic algorithms (GAs) - search procedures based on the mechanics of natural selection and genetics - have grown in popularity for the solution of difficult optimization problems. Concomitant with this growth has been a rising cacaphony of complaint asserting that too much time must be spent by the GA practitioner diddling with codes, operators, and GA parameters; and even then these GA cassandras continue, and the user is still unsure that the effort will meet with success. At the same time, there has been a rising interest in GA theory by a growing community - a theorocracy - of mathematicians and theoretical computer scientists, and these individuals have turned their efforts increasingly toward elegant abstract theorems and proofs that seem to the practitioner to offer little in the way of answers for GA design or practice. What both groups seem to have missed is the largely unheralded 1993 assembly of integrated, applicable theory and its experimental confirmation. This theory has done two key things. First, it has predicted that simple GAs are severely limited in the difficulty of problems they can solve, and these limitations have been confirmed experimentally. Second, it has shown the path to circumventing these limitations in nontraditional GA designs such as the fast messy GA. This talk surveys the history, methodology, and accomplishment of the 1993 applicable theory revolution. After arguing that these accomplishments open the door to universal GA competence, the paper shifts the discussion to the possibility of universal GA efficiency in the utilization of time and real estate through effective parallelization, temporal decomposition, hybridization, and relaxed function evaluation. The presentation concludes by suggesting that these research directions are quickly taking us to a golden age of adaptation.

Goldberg, David E.↗