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DOE OSTI2024

TRUST Sensors in Environments: Fiber Optic Displacement (SE-FOD) Report, Release FY24

The objective of the Delivery Environments (DE) Testbeds to Reduce Uncertainty in Simulations and Tests (TRUST) project is to quantify and help increase confidence in specific areas of computational and experimental capabilities that are applicable to the development, on-target assessment, and qualification of current and future delivery environments. More complete quantification of confidence in experimental and computational capabilities and the sufficient increase of confidence in those capabilities is critical to improving weapons engineering design, qualification, and assessment efforts that are critical to the current and future stockpile. This work uses and provides feedback on analysis tools and experimental results databases for efficient and responsive engineering which are currently under development. Under the TRUST work package, there are five testbeds and their associated engineering analysis baseline models (EABMs): 1. Contact Thermal Conductivity (CTC), 2. Nonlinear Dynamics (ND), 3. Sensors in Environments: Accelerometers (SE-A), 4. Sensors in Environments: Fiber Optic Displacement Gauges (SE-FOD), and 5. Sensors in Environments: Thermocouples (SE-TC). The TRUST project uses single-feature testbeds to quantify uncertainties in specific models and experiments and to identify capability development needs that can help to reduce these uncertainties. Each testbed is designed, configured, and tested in collaboration with groups with design and experimental capability: E-14 and MPA-CINT. The complementary simulations are conducted using W-13 analysis tools and stored in model repositories with plans for incremental progress toward EABM requirements. W-13 extends and exercises the testbed simulations in collaboration with experimentalists for uncertainty quantification of current and future materials, geometries, and environments. Additionally, TRUST is intended to provide engineers in W-13 and E-14 with experience in both numerical simulations and experimental methods through cross-discipline collaborations. Following the introduction to the TRUST project, the remainder of this report focuses on experimental, modeling and simulation, and analysis efforts conducted in FY24 relevant to the TRUST Sensors in Environments: Fiber Optic Displacement (SE-FOD) testbed.

42 ENGINEERING↗

NASA NTRS2006

SACD's Support of the Hyper-X Program

NASA s highly successful Hyper-X program demonstrated numerous hypersonic air-breathing vehicle related technologies including scramjet performance, advanced materials and hot structures, GN&C, and integrated vehicle performance resulting in, for the first time ever, acceleration of a vehicle powered by a scramjet engine. The Systems Analysis and Concepts Directorate (SACD) at NASA s Langley Research Center played a major role in the integrated team providing critical support, analysis, and leadership to the Hyper-X Program throughout the program s entire life and were key to its ultimate success. Engineers in SACD s Vehicle Analysis Branch (VAB) were involved in all stages and aspects of the program, from conceptual design prior to contract award, through preliminary design and hardware development, and in to, during, and after each of the three flights. Working closely with other engineers at Langley and Dryden, as well as industry partners, roughly 20 members of SACD were involved throughout the evolution of the Hyper-X program in nearly all disciplines, including lead roles in several areas. Engineers from VAB led the aerodynamic database development, the propulsion database development, and the stage separation analysis and database development effort. Others played major roles in structures, aerothermal, GN&C, trajectory analysis and flight simulation, as well as providing CFD support for aerodynamic, propulsion, and aerothermal analysis.

Robinson, Jeffrey S.↗

DOE OSTI2025

Implementation of Genetic Algorithms to Optimize Metal–Organic Frameworks for CO 2 Capture

Metal-organic frameworks (MOFs) are promising materials for CO 2 capture with the potential to use less energy than current industrial CO 2 capture methods. MOFs are highly versatile sorbents, and there is an almost unlimited number of MOFs that could be synthesized. In this work, we used a genetic algorithm (GA) and grand canonical Monte Carlo (GCMC) simulations to efficiently search for high-performing MOFs for CO 2 capture. We analyzed the effects of important GA parameters, including the mutation probability, the number of MOFs per generation and the number of GA generations, on the GA performance. Here, we performed GCMC simulations on-the-fly during the GA procedure to determine the performance of proposed MOFs and optimized their structures using multiple objective functions across different topologies. The GA was able to determine top-performing MOFs balancing CO 2 selectivity versus working capacity and reduced the cost of molecular simulations by a factor of 25 versus brute-force screening of an entire database of structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

EyeON

EyeON: Eye on Operational technology Software Supply Chain attacks have risen drastically over the past few years, none more well-known and impactful than the SolarWinds compromise. Criminal organizations inserted an attack vector into a specific version of the source code, giving themselves an air of credibility. Once news broke on SolarWinds, identifying compromised sites was very difficult, even knowing the culprit update. Software Bills of Materials (SBOM) have been touted as the solution to reclaiming control of your software supply chain. Deployment of SBOMs has been slow, however, due to conflicting standards, opaque storage requirements, and vendor adoption. Additionally, the path from obtaining an SBOM and securing your supply chain is unclear; how can an SBOM library be leveraged to provide insight to your attack surface? The EyeON tool, sponsored by Department of Energy Cybersecurity, Energy Security, and Emergency Response (DoE CESER), aims to address these gaps by providing an encapsulated solution to tracking which updates have been installed in an enterprise, and alerting system administrators to vulnerabilities as they become known. Similar to a virus scanner, EyeON is a command line tool to parse either a single file, nested directory structure, or filesystem. It collects data such as signature (hashes), version information, VirusTotal tags, compiler, compilation date, and code signing information. Users will anonymously submit scan data periodically to DoE CESER, who will then compile a database of known software products employed by Critical Infrastructure and broadcast alerts based on discovered flaws as they arise.

Tenzing, Wangmo↗

DOE OSTI2024

Selection and Ranking of Experiments from the Halden Database in support of Multiscale Model Validation

Validating fuel performance codes, such as BISON, requires an extensive amount of experiments covering a wide range of operating conditions and fuel types. Within the light-water reactor (LWR) space, there have been several international experimental programs that have contributed to the wealth of available experimental data available for use. One of those international programs, the Halden Reactor Project (HRP), began in 1958 and utilized the Halden Boiling Water Reactor to conduct many highly instrumented experiments until the reactor closed in 2018. Idaho National Laboratory, through the U.S. Department of Energy, has utilized several Halden experiments to perform the initial validation of the BISON code based upon their inclusion in international modeling and simulation benchmarks. Recently, the HRP has provided member organizations a complete copy of all available data, reports, and presentations since the HRP began. This report provides an initial exploration of the data available in the database for use in validating the multiscale models under development in the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program for LWR applications. Ranking tables that identify potential validation cases are provided for the high priority models of interest. It was found that some of the recommended high priority experiments correspond to additional rods in existing assemblies already available in the BISON validation suite. It is expected that several of these cases will be incorporated into future NEAMS milestones in the fuels technical area for increased validation of BISON.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

INSPIRED: Inelastic neutron scattering prediction for instantaneous results and experimental design

Inelastic neutron scattering (INS) has unique advantages in probing how atoms vibrate and how the vibrations propagate and interact. Such dynamic information is crucial in understanding various material properties, from heat capacity, thermal conductivity, phase transitions, and chemical reactions to more exotic quantum behavior. The analysis and interpretation of the INS spectra often start from a model structure of the sample, followed by a series of calculations to obtain the simulated spectra to compare with experiments. The conventional way to perform such calculations usually requires significant time, computing resources, and specialized expertise. Here, we present a new program named INSPIRED (Inelastic Neutron Scattering Prediction for Instantaneous Results and Experimental Design), which enables users to perform rapid INS simulations in several different ways on their personal computers in just a few clicks, with the crystal structure as the only input file. Specifically, the users can choose a pre-trained symmetry-aware neural network (coupled with an autoencoder) to predict the phonon density of states (DOS), 1D S(E) and 2D S(|Q|,E) spectra for any given structure. One can also choose an existing density functional theory (DFT) calculation from a database (containing over 12,000 crystals), and quickly obtain the simulated INS spectra for single crystals and powders. It is also possible to use pre-trained universal machine learning force fields to relax a given crystal structure, calculate the phonon dispersion and DOS, and, subsequently, the INS spectra. All these functions are implemented with a PyQt graphic user interface. Finally, we expect these new tools will benefit broad user communities and significantly improve the efficiency of experiment design, execution, and data analysis for INS.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Bioenergy Underground: Challenges and opportunities for phenotyping roots and the microbiome for sustainable bioenergy crop production

Abstract Bioenergy production often focuses on the aboveground feedstock production for conversion to fuel and other materials. However, the belowground component is crucial for soil carbon sequestration, greenhouse gas fluxes, and ecosystem function. Roots maximize feedstock production on marginal lands by acquiring soil resources and mediating soil ecosystem processes through interactions with the microbial community. This belowground world is challenging to observe and quantify; however, there are unprecedented opportunities using current methodologies to bring roots, microbes, and soil into focus. These opportunities allow not only breeding for increased feedstock production but breeding for increased soil health and carbon sequestration as well. A recent workshop hosted by the USDOE Bioenergy Research Centers highlighted these challenges and opportunities while creating a roadmap for increased collaboration and data interoperability through standardization of methodologies and data using F.A.I.R. principles. This article provides a background on the need for belowground research in bioenergy cropping systems, a primer on root system properties of major U.S. bioenergy crops, and an overview of the roles of root chemistry, exudation, and microbial interactions on sustainability. Crucially, we outline how to adopt standardized measures and databases to meet the most pressing methodological needs to accelerate root, soil, and microbial research to meet the pressing societal challenges of the century.

09 BIOMASS FUELS↗

DOE OSTI2025

Design Basis Document / Owner’s Technical Specification for Nitrate Salt Systems in CSP Projects (Final Technical Report)

The number of commercial coal, gas, and nuclear projects built over the past 100 years number in the thousands. As such, there is a large database, available to a wide range of commercial engineering contractors, on proven designs. In essence, unsuccessful designs have, through generations of iterations, been identified and then deleted from further consideration. In contrast, the number of commercial parabolic trough projects using nitrate salt for the thermal storage media is perhaps 60. Further, the number of commercial central receiver projects using nitrate salt as the working fluid is on the order of 20, including estimates for China. Given the relative immaturity of salt technology, and commercial pressures to successfully bid new solar projects into a mature electricity market, solar projects often promise more than has been delivered. The Design Basis Document / Owner’s Technical Specification is a first step in the iteration process. The report describes the successful features of commercial projects, outlines a range equipment and system failures in projects that didn’t operate as intended, and provides a draft set of design changes intended to correct the known problems. The product of the study is 3 volumes of technical material; one volume is on parabolic trough technologies; a second is on central receiver technologies, and the third is on potential design changes to parabolic trough and central receiver projects. The 3 volumes, which total some 590 pages, can be found at https://www.solardynllc.com/csp-plant-technologies. One of the principal topics in the report is the use of functional or prescriptive specifications. Functional specifications describe what the equipment needs to do, consistent with the minimum legal requirements of the local jurisdictions. The details of how this is to be accomplished is developed by the engineering contractor. Prescriptive specifications, which are developed by the Owner, prescribe to the engineering contractor how the functional requirements are to be met. This arrangement ensures that the favorable experience from a previous project is repeated. One example is the design code for the hot salt tank in central receiver projects. The closest design basis is API Standard 650 Welded Steel Tanks for Oil Storage. However, the maximum design temperature in API 650 is 260 °C. As such, solar projects have typically adopted a hybrid Code approach, in which allowable material stresses are taken from ASME Section II Materials. Further, since the tanks experience daily changes in temperature and in (static) pressure, and since portions of the tank can operate at stresses beyond the elastic range, the low cycle fatigue life of the tank is conducted using the rules of Section VIII Division 2. However, in a recent study by NREL, the principal damage mechanism was identified as creep rather than fatigue. Further, design stresses permitted under Section VIII Division 2, corresponding to a fatigue life of 30 years, result in projected creep lifetimes of only 2 to 5 years. An alternate design approach, prescribed by the Owner, would be based on Code sections intended for high temperature service in the creep regime. A candidate is Section III Division 5. Granted, this is a nuclear code section, and it’s use would not likely be mandated by local jurisdictions. However, the effects of creep have been deemed to be of sufficient importance that one nuclear project developer, and one central receiver project developer, have stipulated in the tank design specification that the equipment be designed to the requirements of Section III Division 5.

14 SOLAR ENERGY↗

NASA NTRS2003

Enhancement and Extension of Porosity Model in the FDNS-500 Code to Provide Enhanced Simulations of Rocket Engine Components

In the past, the design of rocket engines has primarily relied on the cold flow/hot fire test, and the empirical correlations developed based on the database from previous designs. However, it is very costly to fabricate and test various hardware designs during the design cycle, whereas the empirical model becomes unreliable in designing the advanced rocket engine where its operating conditions exceed the range of the database. The main goal of the 2nd Generation Reusable Launching Vehicle (GEN-II RLV) is to reduce the cost per payload and to extend the life of the hardware, which poses a great challenge to the rocket engine design. Hence, understanding the flow characteristics in each engine components is thus critical to the engine design. In the last few decades, the methodology of computational fluid dynamics (CFD) has been advanced to be a mature tool of analyzing various engine components. Therefore, it is important for the CFD design tool to be able to properly simulate the hot flow environment near the liquid injector, and thus to accurately predict the heat load to the injector faceplate. However, to date it is still not feasible to conduct CFD simulations of the detailed flowfield with very complicated geometries such as fluid flow and heat transfer in an injector assembly and through a porous plate, which requires gigantic computer memories and power to resolve the detailed geometry. The rigimesh (a sintered metal material), utilized to reduce the heat load to the faceplate, is one of the design concepts for the injector faceplate of the GEN-II RLV. In addition, the injector assembly is designed to distribute propellants into the combustion chamber of the liquid rocket engine. A porosity mode thus becomes a necessity for the CFD code in order to efficiently simulate the flow and heat transfer in these porous media, and maintain good accuracy in describing the flow fields. Currently, the FDNS (Finite Difference Navier-Stakes) code is one of the CFD codes which are most widely used by research engineers at NASA Marshall Space Flight Center (MSFC) to simulate various flow problems related to rocket engines. The objective of this research work during the 10-week summer faculty fellowship program was to 1) debug the framework of the porosity model in the current FDNS code, and 2) validate the porosity model by simulating flows through various porous media such as tube banks and porous plate.

Cheng, Gary↗

NASA NTRS2006

Using Light Curves to Characterize Size and Shape of Pseudo-Debris

Photometric measurements were collected for a new study aimed at estimating orbital debris sizes based on object brightness. To obtain a size from optical measurements the current practice is to assume an albedo and use a normalized magnitude to calculate optical size. However, assuming a single albedo value may not be valid for all objects or orbit types; material type and orientation can mask an object s true optical cross section. This experiment used a CCD camera to record data, a 300 W Xenon, Ozone Free collimated light source to simulate solar illumination, and a robotic arm with five degrees of freedom to move the piece of simulated debris through various orientations. The pseudo-debris pieces used in this experiment originate from the European Space Operations Centre s ESOC2 ground test explosion of a mock satellite. A uniformly illuminated white ping-pong ball was used as a zero-magnitude reference. Each debris piece was then moved through specific orientations and rotations to generate a light curve. This paper discusses the results of five different object-based light curves as measured through an x-rotation. Intensity measurements, from which each light curve was generated, were recorded in five degree increments from zero to 180 degrees. Comparing light curves of different shaped and sized pieces against their characteristic length establishes the start of a database from which an optical size estimation model will be derived in the future.

Rodriquez, Heather M.↗

DOE OSTI2026

Assessing Metal Ion Assignment Accuracy in Protein Data Bank Models via Elemental Spectroscopy

Accurate representation of metal ions in macromolecular structures is critical for chemical interpretation, computational modeling, and machine-learning methods that rely on Protein Data Bank (PDB) entries. However, the elemental identity of metals modeled in crystallographic structures is often inferred indirectly and rarely validated experimentally. Here, we combine Particle Induced X-ray Emission (PIXE) and X-ray Fluorescence Spectroscopy (XRFS) to determine the elemental composition of protein samples used to generate 70 deposited metalloprotein crystal structures. By analyzing the original protein material employed for crystallization, but before the addition of crystallization buffer solutions, we assess whether the modeled metal ions in deposited structures are consistent with experimentally detectable elemental content. We find that in a majority of cases, the metals modeled in the corresponding PDB entries are inconsistent with the metals present in the protein samples before crystallization, or that additional metals are present but not represented in the structural models. Spectroscopic results were integrated with automated crystallographic validation metrics, including real-space Z-difference (RSZD) analysis and systematic rerefinement, to evaluate atomic-number mismatch at metal sites. PIXE and XRFS show strong agreement for dominant elemental signals and provide complementary, scalable approaches for identifying suspect metal assignments. This work does not address physiological or functional metalation but instead highlights a widespread data integrity issue in deposited macromolecular structures, PDB-wide. These results establish an experimentally corroborated link between elemental identity and crystallographic validation metrics, enabling the large-scale detection of chemically inconsistent annotations in structural databases used for computational modeling and machine learning.

Crystallization↗

NASA NTRS1992

Electronic publishing and intelligent information retrieval

Europeans are now taking steps to homogenize policies and standardize procedures in electronic publishing (EP) in astronomy and space sciences. This arose from an open meeting organized in Oct. 1991 at Strasbourg Observatory (France) and another business meeting held late Mar. 1992 with the major publishers and journal editors in astronomy and space sciences. The ultimate aim of EP might be considered as the so-called 'intelligent information retrieval' (IIR) or better named 'advanced information retrieval' (AIR), taking advantage of the fact that the material to be published appears at some stage in a machine-readable form. It is obvious that the combination of desktop and electronic publishing with networking and new structuring of knowledge bases will profoundly reshape not only our ways of publishing, but also our procedures of communicating and retrieving information. It should be noted that a world-wide survey among astronomers and space scientists carried out before the October 1991 colloquium on the various packages and machines used, indicated that TEX-related packages were already in majoritarian use in our community. It has also been stressed at each meeting that the European developments should be carried out in collaboration with what is done in the US (STELLAR project, for instance). American scientists and journal editors actually attended both meetings mentioned above. The paper will offer a review of the status of electronic publishing in astronomy and its possible contribution to advanced information retrieval in this field. It will also report on recent meetings such as the 'Astronomy from Large Databases-2 (ALD-2)' conference dealing with the latest developments in networking, in data, information, and knowledge bases, as well as in the related methodologies.

Heck, A.↗

NASA NTRS2011

Transition Analysis for the HIFiRE-1 Flight Experiment

Li, Fei↗

NASA NTRS2012

Hypersonic Transition Analysis for HIFiRE Experiments

The HIFiRE-1 flight experiment provided a valuable database pertaining to boundary layer transition over a 7-degree half-angle, circular cone model from supersonic to hypersonic Mach numbers, and a range of Reynolds numbers and angles of attack. This paper reports selected findings from the ongoing computational analysis of the measured in-flight transition behavior. Transition during the ascent phase at nearly zero degree angle of attack is dominated by second mode instabilities except in the vicinity of the cone meridian where a roughness element was placed midway along the length of the cone. The growth of first mode instabilities is found to be weak at all trajectory points analyzed from the ascent phase. For times less than approximately 18.5 seconds into the flight, the peak amplification ratio for second mode disturbances is sufficiently small because of the lower Mach numbers at earlier times, so that the transition behavior inferred from the measurements is attributed to an unknown physical mechanism, potentially related to step discontinuities in surface height near the locations of a change in the surface material. Based on the time histories of temperature and/or heat flux at transducer locations within the aft portion of the cone, the onset of transition correlated with a linear N-factor, based on parabolized stability equations, of approximately 13. Due to the large angles of attack during the re-entry phase, crossflow instability may play a significant role in transition. Computations also indicate the presence of pronounced crossflow separation over a significant portion of the trajectory segment that is relevant to transition analysis.

Li, Fei↗

NASA NTRS2012

Stability Analysis for HIFiRE Experiments

The HIFiRE-1 flight experiment provided a valuable database pertaining to boundary layer transition over a 7-degree half-angle, circular cone model from supersonic to hypersonic Mach numbers, and a range of Reynolds numbers and angles of attack. This paper reports selected findings from the ongoing computational analysis of the measured in-flight transition behavior. Transition during the ascent phase at nearly zero degree angle of attack is dominated by second mode instabilities except in the vicinity of the cone meridian where a roughness element was placed midway along the length of the cone. The growth of first mode instabilities is found to be weak at all trajectory points analyzed from the ascent phase. For times less than approximately 18.5 seconds into the flight, the peak amplification ratio for second mode disturbances is sufficiently small because of the lower Mach numbers at earlier times, so that the transition behavior inferred from the measurements is attributed to an unknown physical mechanism, potentially related to step discontinuities in surface height near the locations of a change in the surface material. Based on the time histories of temperature and/or heat flux at transducer locations within the aft portion of the cone, the onset of transition correlated with a linear N-factor, based on parabolized stability equations, of approximately 13.5. Due to the large angles of attack during the re-entry phase, crossflow instability may play a significant role in transition. Computations also indicate the presence of pronounced crossflow separation over a significant portion of the trajectory segment that is relevant to transition analysis. The transition behavior during this re-entry segment of HIFiRE-1 flight shares some common features with the predicted transition front along the elliptic cone shaped HIFiRE-5 flight article, which was designed to provide hypersonic transition data for a fully 3D geometric configuration. To compare and contrast the crossflow dominated transition over the HIFiRE-1 and HIFiRE-5 configurations, this paper also analyzes boundary layer instabilities over a subscale model of the HIFiRE-5 flight configuration that was tested in the Mach 6 quiet tunnel facility at Purdue University.

Li, Fei↗

NASA NTRS1997

Advanced Technology Composite Fuselage - Manufacturing

The goal of Boeing's Advanced Technology Composite Aircraft Structures (ATCAS) program is to develop the technology required for cost-and weight-efficient use of composite materials in transport fuselage structure. Carbon fiber reinforced epoxy was chosen for fuselage skins and stiffening elements, and for passenger and cargo floor structures. The automated fiber placement (AFP) process was selected for fabrication of stringer-stiffened and sandwich skin panels. Circumferential and window frames were braided and resin transfer molded (RTM'd). Pultrusion was selected for fabrication of floor beams and constant-section stiffening elements. Drape forming was chosen for stringers and other stiffening elements cocured to skin structures. Significant process development efforts included AFP, braiding, RTM, autoclave cure, and core blanket fabrication for both sandwich and stiffened-skin structure. Outer-mold-line and inner-mold-line tooling was developed for sandwich structures and stiffened-skin structure. The effect of design details, process control and tool design on repeatable, dimensionally stable, structure for low cost barrel assembly was assessed. Subcomponent panels representative of crown, keel, and side quadrant panels were fabricated to assess scale-up effects and manufacturing anomalies for full-scale structures. Manufacturing database including time studies, part quality, and manufacturing plans were generated to support the development of designs and analytical models to access cost, structural performance, and dimensional tolerance.

Wilden, K. S.↗

NASA NTRS1989

Space physics analysis network node directory (The Yellow Pages): Fourth edition

The Space Physics Analysis Network (SPAN) is a component of the global DECnet Internet, which has over 17,000 host computers. The growth of SPAN from its implementation in 1981 to its present size of well over 2,500 registered SPAN host computers, has created a need for users to acquire timely information about the network through a central source. The SPAN Network Information Center (SPAN-NIC) an online facility managed by the National Space Science Data Center (NSSDC) was developed to meet this need for SPAN-wide information. The remote node descriptive information in this document is not currently contained in the SPAN-NIC database, but will be incorporated in the near future. Access to this information is also available to non-DECnet users over a variety of networks such as Telenet, the NASA Packet Switched System (NPSS), and the TCP/IP Internet. This publication serves as the Yellow Pages for SPAN node information. The document also provides key information concerning other computer networks connected to SPAN, nodes associated with each SPAN routing center, science discipline nodes, contacts for primary SPAN nodes, and SPAN reference information. A section on DECnet Internetworking discusses SPAN connections with other wide-area DECnet networks (many with thousands of nodes each). Another section lists node names and their disciplines, countries, and institutions in the SPAN Network Information Center Online Data Base System. All remote sites connected to US-SPAN and European-SPAN (E-SPAN) are indexed. Also provided is information on the SPAN tail circuits, i.e., those remote nodes connected directly to a SPAN routing center, which is the local point of contact for resolving SPAN-related problems. Reference material is included for those who wish to know more about SPAN. Because of the rapid growth of SPAN, the SPAN Yellow Pages is reissued periodically.

Peters, David J.↗

DOE OSTI2024

Temperature and Composition Dependence Modeling of Viscosity and Electrical Conductivity of Low-Activity Waste Glass Melts

The development of models that accurately relate the properties of a glass melt to its temperature and composition is important for glass formulation, melter control, and modeling the melt flow, refractory corrosion, and production rate. Using a database consisting of more than 4,000 data points measured between 900 °C and 1250 °C for over 600 unique low-activity waste glass compositions, we developed models for the melt viscosity and electrical conductivity. Models based on the Gaussian process regression approach outperformed models based on the Vogel–Fulcher–Tammann equation according to four standard metrics and yielded reliable prediction intervals. The models found primarily linear effects between properties and individual components, except for the effect of the Na 2 O mass fraction on the electrical conductivity. The effects were found to be consistent with current theories on physical processes involved with those properties.

36 MATERIALS SCIENCE↗