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All sourcesNASA NTRSDOE OSTI
NASA NTRS2013

V and V of Lexical, Syntactic and Semantic Properties for Interactive Systems Through Model Checking of Formal Description of Dialog

During early phases of the development of an interactive system, future system properties are identified (through interaction with end users in the brainstorming and prototyping phase of the application, or by other stakehold-ers) imposing requirements on the final system. They can be specific to the application under development or generic to all applications such as usability principles. Instances of specific properties include visibility of the aircraft altitude, speed… in the cockpit and the continuous possibility of disengaging the autopilot in whatever state the aircraft is. Instances of generic properties include availability of undo (for undoable functions) and availability of a progression bar for functions lasting more than four seconds. While behavioral models of interactive systems using formal description techniques provide complete and unambiguous descriptions of states and state changes, it does not provide explicit representation of the absence or presence of properties. Assessing that the system that has been built is the right system remains a challenge usually met through extensive use and acceptance tests. By the explicit representation of properties and the availability of tools to support checking these properties, it becomes possible to provide developers with means for systematic exploration of the behavioral models and assessment of the presence or absence of these properties. This paper proposes the synergistic use two tools for checking both generic and specific properties of interactive applications: Petshop and Java PathFinder. Petshop is dedicated to the description of interactive system behavior. Java PathFinder is dedicated to the runtime verification of Java applications and as an extension dedicated to User Interfaces. This approach is exemplified on a safety critical application in the area of interactive cockpits for large civil aircrafts.

human-computer interface↗
NASA NTRS2014

Property Differencing for Incremental Checking

This paper introduces iProperty, a novel approach that facilitates incremental checking of programs based on a property di erencing technique. Speci cally, iProperty aims to reduce the cost of checking properties as they are initially developed and as they co-evolve with the program. The key novelty of iProperty is to compute the di erences between the new and old versions of expected properties to reduce the number and size of the properties that need to be checked during the initial development of the properties. Furthermore, property di erencing is used in synergy with program behavior di erencing techniques to optimize common regression scenarios, such as detecting regression errors or checking feature additions for conformance to new expected properties. Experimental results in the context of symbolic execution of Java programs annotated with properties written as assertions show the e ectiveness of iProperty in utilizing change information to enable more ecient checking.

Yang, Guowei↗
DOE OSTI2013

The component slope linear model for calculating intensive partial molar properties /application to waste glasses and aluminate solutions

Partial molar properties are the changes occurring when the fraction of one component is varied while the fractions of all other component mole fractions change proportionally. They have many practical and theoretical applications in chemical thermodynamics. Partial molar properties of chemical mixtures are difficult to measure because the component mole fractions must sum to one, so a change in fraction of one component must be offset with a change in one or more other components. Given that more than one component fraction is changing at a time, it is difficult to assign a change in measured response to a change in a single component. In this study, the Component Slope Linear Model (CSLM), a model previously published in the statistics literature, is shown to have coefficients that correspond to the intensive partial molar properties. If a measured property is plotted against the mole fraction of a component while keeping the proportions of all other components constant, the slope at any given point on a graph of this curve is the partial molar property for that constituent. Actually plotting this graph has been used to determine partial molar properties for many years. The CSLM directly includes this slope in a model that predicts properties as a function of the component mole fractions. This model is demonstrated by applying it to the constant pressure heat capacity data from the NaOH-NaAl(OH){sub 4}-H{sub 2}O system, a system that simplifies Hanford nuclear waste. The partial molar properties of H{sub 2}O, NaOH, and NaAl(OH){sub 4} are determined. The equivalence of the CSLM and the graphical method is verified by comparing results determined by the two methods. The CSLM model has been previously used to predict the liquidus temperature of spinel crystals precipitated from Hanford waste glass. Those model coefficients are re-interpreted here as the partial molar spinel liquidus temperature of the glass components.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2013

The Component Slope Linear Model for Calculating Intensive Partial Molar Properties: Application to Waste Glasses

Partial molar properties are the changes occurring when the fraction of one component is varied while the fractions of all other component mole fractions change proportionally. They have many practical and theoretical applications in chemical thermodynamics. Partial molar properties of chemical mixtures are difficult to measure because the component mole fractions must sum to one, so a change in fraction of one component must be offset with a change in one or more other components. Given that more than one component fraction is changing at a time, it is difficult to assign a change in measured response to a change in a single component. In this study, the Component Slope Linear Model (CSLM), a model previously published in the statistics literature, is shown to have coefficients that correspond to the intensive partial molar properties. If a measured property is plotted against the mole fraction of a component while keeping the proportions of all other components constant, the slope at any given point on a graph of this curve is the partial molar property for that constituent. Actually plotting this graph has been used to determine partial molar properties for many years. The CSLM directly includes this slope in a model that predicts properties as a function of the component mole fractions. This model is demonstrated by applying it to the constant pressure heat capacity data from the NaOH-NaAl(OH{sub 4}H{sub 2}O system, a system that simplifies Hanford nuclear waste. The partial molar properties of H{sub 2}O, NaOH, and NaAl(OH){sub 4} are determined. The equivalence of the CSLM and the graphical method is verified by comparing results detennined by the two methods. The CSLM model has been previously used to predict the liquidus temperature of spinel crystals precipitated from Hanford waste glass. Those model coefficients are re-interpreted here as the partial molar spinel liquidus temperature of the glass components.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2013

The Component Slope Linear Model for Calculating Intensive Partial Molar Properties: Application to Waste Glasses and Aluminate Solutions - 13099

Partial molar properties are the changes occurring when the fraction of one component is varied while the fractions of all other component mole fractions change proportionally. They have many practical and theoretical applications in chemical thermodynamics. Partial molar properties of chemical mixtures are difficult to measure because the component mole fractions must sum to one, so a change in fraction of one component must be offset with a change in one or more other components. Given that more than one component fraction is changing at a time, it is difficult to assign a change in measured response to a change in a single component. In this study, the Component Slope Linear Model (CSLM), a model previously published in the statistics literature, is shown to have coefficients that correspond to the intensive partial molar properties. If a measured property is plotted against the mole fraction of a component while keeping the proportions of all other components constant, the slope at any given point on a graph of this curve is the partial molar property for that constituent. Actually plotting this graph has been used to determine partial molar properties for many years. The CSLM directly includes this slope in a model that predicts properties as a function of the component mole fractions. This model is demonstrated by applying it to the constant pressure heat capacity data from the NaOHNaAl(OH){sub 4}-H{sub 2}O system, a system that simplifies Hanford nuclear waste. The partial molar properties of H{sub 2}O, NaOH, and NaAl(OH){sub 4} are determined. The equivalence of the CSLM and the graphical method is verified by comparing results determined by the two methods. The CSLM model has been previously used to predict the liquidus temperature of spinel crystals precipitated from Hanford waste glass. Those model coefficients are re-interpreted here as the partial molar spinel liquidus temperature of the glass components. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

The Functor system: a new on-the-fly take on Material Properties based on C++ functions

In the context of solving multiphysics problems, the discretization of the partial differential equations (PDE) at hand often takes the spotlight. However, for most engineering users and even application developers, the discretization of the equations has already been performed. Instead, they are tasked with implementing specific closure relations and material properties. MOOSE has long enabled this using the Materials system. This system relied on the pre-computation of all properties before they are used in the PDE or in postprocessing. In this talk we will introduce the Functor system, which was deployed in MOOSE in 2021, then present a few applications of functors in flow modeling simulations by the NEAMS program. Functors first offer great flexibility in their evaluation. Rather than storing various arrays for material properties, they are evaluated on the fly at the location and state, e.g. current or old value, requested. Unlike regular material properties, several operations such as the time derivative, the divergence and the curl can be requested from a functor. Similar to material properties, functors can be made to depend on arbitrary combinations of variables, functions, postprocessors and other properties. However, unlike material properties, any of these can be substituted for a functor material property. Thanks to this, objects no longer need to be duplicated based on the types of their parameters.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Phase composition and magnetic properties of niobium-iron codoped TiO{sub 2} nanoparticles synthesized in Ar/O{sub 2} radio-frequency thermal plasma

Nanoparticles of Nb{sup 5+}-Fe{sup 3+} codoped TiO{sub 2} with various Nb{sup 5+} concentrations (Nb/(Ti+Fe+Nb)=0-10.0 at%) and Fe{sup 3+} (Fe/(Ti+Fe+Nb)=0-2.0 at%) were synthesized using Ar/O{sub 2} thermal plasma. Dopant content, chemical valence, phase identification, morphology and magnetic properties were determined using several characterization techniques, including inductively coupled plasma-optical emission spectrometer, X-ray photoelectron spectroscopy, X-ray diffraction, UV-vis diffuse reflectance spectrometer, field-emission scanning electron microscopy, transmission electron microscopy and SQUID commercial instrument. The XRD revealed that all the plasma-synthesized powders were exclusively composed of anatase as major phase and rutile. The rutile weight fraction was increased by the substitution of Fe{sup 3+} for Ti{sup 4+} whereas it was reduced by the Nb{sup 5+} doping. The plasma-synthesized Nb{sup 5+}-Fe{sup 3+} codoped TiO{sub 2} powders had intrinsic magnetic properties of strongly paramagnetic and feebly ferromagnetic at room temperature. The ferromagnetic properties gradually deteriorated as the Fe{sup 3+} concentration was decreased, suggesting that the ferromagnetism was predominated by the phase composition as a carrier-mediated exchange. - Graphical Abstract: Spherical nanoparticles of Nb{sup 5+}-Fe{sup 3+} codoped TiO{sub 2} were synthesized using Ar/O{sub 2} thermal plasma. The plasma-synthesized powders were composed of anatase as major phase and rutile. Rutile weight fraction was increased by Fe{sup 3+} addition but was reduced by Nb{sup 5+} doping. Strongly paramagnetic and feebly ferromagnetic properties are of intrinsic nature. Ferromagnetic properties gradually deteriorated as Fe{sup 3+} concentration was increased. Highlights: > Nanoparticles of Nb{sup 5+}-Fe{sup 3+} codoped TiO{sub 2} were synthesized using Ar/O{sub 2} thermal plasma. > The plasma-synthesized powders were composed of anatase as major phase and rutile. > Rutile weight fraction was increased by Fe{sup 3+} addition but was reduced by Nb{sup 5+} doping. > Strongly paramagnetic and feebly ferromagnetic properties are of intrinsic nature. > Ferromagnetic properties gradually deteriorated as Fe{sup 3+} concentration was increased.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Adsorption properties of subtropical and tropical variable charge soils: Implications from climate change and biochar amendment

This review paper attempts to summarize the progress made in research efforts conducted over the last years to study the surface chemical properties of the tropical and subtropical soils, usually called variable charge soils, and the way they response to different management practices. The paper is composed of an introductory section that provides a brief discussion on the surface chemical properties of these soils, and five other review sections. The focus of these sections is on the evolution of surface chemical properties during the development of the variable charge properties (second section), interactions between oppositely charged particles and the resulting effects on the soil properties and especially on soil acidity (third section), the surface effects of low molecular weight organic acids sorbed to mineral surfaces and the chemical behavior of aluminum (fourth section), and the crop straw derived biochar induced changes of the surface chemical properties of these soils (fifth section). A discussion on the effect of climate change variables on the properties of the variable charge soils is included at the end of this review paper (sixth section).

Adsorption properties↗
DOE OSTI2024

Implementation of an extensible property modeling framework in ESPEI with applications to molar volume and elastic stiffness models

Property models are becoming more widely adopted by commercial Calphad databases, but they are not nearly as common in non-commercial or traditional academic Calphad databases. A primary driver is that user-friendly Calphad modeling tools that support property models are not widely available. Here we present new property modeling capabilities that have been implemented in ESPEI (the Extensible, Self-optimizing Phase Equilibrium Infrastructure). These capabilities include both generating property model parameters from data and improvements to the algorithmic selection of the most appropriate model from a series of candidates. Additionally, two illustrative examples are given that use ESPEI to fit different property models. First, we generate molar volume model parameters for Group IV, V, and VI refractory BCC alloys based on the model by Lu et al. (2005). Second, we demonstrate the extensibility of ESPEI’s property modeling capabilities by implementing a custom PyCalphad model for BCC elastic stiffness parameters to generate and compare parameters to the ones assessed by Marker et al. (2018) using the same data. Property models generated by ESPEI can be used in PyCalphad or further optimized with uncertainty quantification using ESPEI.

36 MATERIALS SCIENCE↗
DOE OSTI2013

La{sub 0.7}Sr{sub 0.3}MnO{sub 3} nanopowders: Synthesis of different powders structures and real magnetic properties of nanomanganites

The difference in the magnetic properties between two lanthanum manganite nanopowders with identical phase and chemical composition is discussed in terms of the influence of nanopowder synthesis conditions on their properties. The aim of this investigation was to show the influence of precursor type and structure on the structure and properties of final La{sub 0.7}Sr{sub 0.3}MnO{sub 3} nanopowders obtained by precipitation technique. The forming of a complex structure of precursor materials during drying and inheritance at firing stage led to the formation of bimodal particle size distribution and magnetic properties typical of coarse powders. The correct choice of precursor material and the technological conditions of the drying and firing stage were allowed for the creation of a uniform powder structure with special magnetic properties. We showed that the magnetic properties of nanopowders were not always determined by chemical or phase composition and mean particle size of synthesized powders. The difference in precipitation process can lead to unpredictable and catastrophic results, and masked the effect of nanoparticles on the magnetic properties of the material. - Highlights: • Precursor’s structure has a strong influence on LSM nanoparticles structure. • Amorphous precursor structure led to uniform LSM nanoparticles formation. • Crystal precursors led to the formation of bimodal LSM particles distribution. • Decrease the single-domain LSM NP size led to decrease the powder’s magnetization.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Crystal structure, Raman spectra, infrared spectra and microwave dielectric properties of Li2Mg3Ti1-X(Mg1/3Ta2/3)XO6 (0 ≤ x ≤ 0.2) solid solution ceramics

Highlights: • Microwave properties of ε{sub r} = 14.70, Q·f = 200,600 GHz and τ{sub f} = −11.83 ppm/°C were obtained. • A small amount of (Mg{sub 1/3}Ta{sub 2/3}){sup 4+} can obviously improve properties. • Rietveld refinement and spectra were used to analyze properties. • Relationships between intrinsic parameters and properties were established. - Abstract: Li{sub 2}Mg{sub 3}Ti{sub 1-X}(Mg{sub 1/3}Ta{sub 2/3}){sub X}O{sub 6} (x = 0.00, 0.05, 0.10, 0.15, 0.20) solid solution ceramics were prepared by the conventional solid-state reaction method. Rietveld refinements, Raman spectra, infrared spectra, polarizability and bond energy were used to research the changes of microwave dielectric properties of these solid solutions. With the increase of x values from 0 to 0.2, dielectric constants (ε{sub r}) gradually increased, which could be explained by the variations of the polarizability, infrared resonant modes and Raman vibration modes. The variations of the quality factor (Q·f) could be explained by the changes of the bond valences. The temperature coefficient of resonant frequency (τ{sub ƒ}) correlated with the bond energy of TiO bonds. A small quantity of (Mg{sub 1/3}Ta{sub 2/3}){sup 4+} can obviously improve the microwave dielectric properties. Excellent microwave dielectric properties of ε{sub r} = 14.70, Q·f = 200,600 GHz and τ{sub f} = −11.83 ppm/°C were obtained for Li{sub 2}Mg{sub 3}Ti{sub 0.95}(Mg{sub 1/3}Ta{sub 2/3}){sub 0.05}O{sub 6} ceramic sintered at 1550 °C.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Enhanced Curie temperature and piezoelectric properties of (Ba0.85Ca0.15)(Zr0.10Ti0.90)O3 lead-free ceramics after the addition of LiTaO3

Highlights: • The Curie temperature and piezoelectric properties of BCZT ceramics can be obviously enhanced by the addition of LiTaO{sub 3}. • The Curie temperature of (Ba{sub 0.85}Ca{sub 0.15})(Zr{sub 0.10}Ti{sub 0.90})O{sub 3} ceramics improved from 93 ℃ to 102 ℃. • (Ba{sub 0.85}Ca{sub 0.15})(Zr{sub 0.10}Ti{sub 0.90})O{sub 3} ceramic with x = 0.3 mol.% LiTaO{sub 3} demonstrates optimal piezoelectric properties. • The giant electrostrictive coefficients (Q{sub 33} ≈ 0.040-0.050 m{sup 4}/C{sup 2}) were also obtained in LT-doped BCZT ceramics. - Abstract: Polycrystalline (Ba{sub 0.85}Ca{sub 0.15})(Zr{sub 0.10}Ti{sub 0.90})O{sub 3}–xLiTaO{sub 3} ceramics were designed and synthesized using a solid-state reaction to improve both the Curie temperature and the electrical properties of (Ba{sub 0.85}Ca{sub 0.15})(Zr{sub 0.10}Ti{sub 0.90})O{sub 3} lead-free piezoelectric ceramics. The effect that the addition of LiTaO{sub 3} has on the structure and electrical properties of BCZT ceramics was studied systemically. The results show that the Curie temperature and the piezoelectric properties of BCZT can be substantially enhanced by adding LiTaO{sub 3.} The Curie temperature increased from 93 °C to 102 °C after adding LT of 0.3 mol.%. X-ray diffraction and Raman spectral analysis of the ceramics reveal the coexistence of orthorhombic (O) and tetragonal (T) phases. This coexistence of O and T phases at room temperature helps improve the ferroelectric and piezoelectric properties. The ceramic with x = 0.3 mol.% exhibits the highest values for d{sub 33} = 433 pC/N, d{sub 33}{sup *} = 858 pm/V (at 1 kV/mm) and k{sub p} = 44.6%. Furthermore, giant electrostrictive coefficients (Q{sub 33} ≈ 0.040–0.050 m{sup 4}/C{sup 2}) were also obtained for these LT-doped BCZT ceramics. These properties confirm that BCZT-xLT is a promising candidate system for lead-free piezoelectric ceramic materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Compositional Models of Glass/Melt Properties and their Use for Glass Formulation

Nuclear waste glasses must simultaneously meet a number of criteria related to their processability, product quality, and cost factors. The properties that must be controlled in glass formulation and waste vitrification plant operation tend to vary smoothly with composition allowing for glass property-composition models to be developed and used. Models have been fit to the key glass properties. The properties are transformed so that simple functions of composition (e.g., linear, polynomial, or component ratios) can be used as model forms. The model forms are fit to experimental data designed statistically to efficiently cover the composition space of interest. Examples of these models are found in literature. The glass property-composition models, their uncertainty definitions, property constraints, and optimality criteria are combined to formulate optimal glass compositions, control composition in vitrification plants, and to qualify waste glasses for disposal. An overview of current glass property-composition modeling techniques is summarized in this paper along with an example of how those models are applied to glass formulation and product qualification at the planned Hanford high-level waste vitrification plant.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Mechanical properties of Municipal Solid Waste by SDMT

Highlights: • The adoption of the SDMT for the measurements of MSW properties is proposed. • A comparison between SDMT results and laboratory tests was carried out. • A good reliability has been found in deriving waste properties by SDMT. • Results seems to be promising for the friction angle and Young’s modulus evaluation. - Abstract: In the paper the results of a geotechnical investigation carried on Municipal Solid Waste (MSW) materials retrieved from the “Cozzo Vuturo” landfill in the Enna area (Sicily, Italy) are reported and analyzed. Mechanical properties were determined both by in situ and laboratory large-scale one dimensional compression tests. While among in situ tests, Dilatomer Marchetti Tests (DMT) is used widely in measuring soil properties, the adoption of the DMT for the measurements of MSW properties has not often been documented in literature. To validate its applicability for the estimation of MSW properties, a comparison between the seismic dilatometer (SDMT) results and the waste properties evaluated by laboratory tests was carried out. Parameters for “fresh” and “degraded waste” have been evaluated. These preliminary results seems to be promising as concerns the assessment of the friction angle of waste and the evaluation of the S-wave in terms of shear wave velocity. Further studies are certainly required to obtain more representative values of the elastic parameters according to the SDMT measurements.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Comparison of the Mechanical Properties of a Conjugated Polymer Deposited Using Spin Coating, Interfacial Spreading, Solution Shearing, and Spray Coating

The mechanical properties of π-conjugated (semiconducting) polymers are a key determinant of the stability and manufacturability of devices envisioned for applications in energy and healthcare. These properties—including modulus, extensibility, toughness, and strength—are influenced by the morphology of the solid film, which depends on the method of processing. To date, the majority of work done on the mechanical properties of semiconducting polymers has been performed on films deposited by spin coating, a process not amenable to the manufacturing of large-area films. Here, we compare the mechanical properties of thin films of regioregular poly(3-heptylthiophene) (P3HpT) produced by three scalable deposition processes—interfacial spreading, solution shearing, and spray coating—and spin coating (as a reference). Our results lead to four principal conclusions. (1) Spray-coated films have poor mechanical robustness due to defects and inhomogeneous thickness. (2) Sheared films show the highest modulus, strength, and toughness, likely resulting from a decrease in free volume. (3) Interfacially spread films show a lower modulus but greater fracture strain than spin-coated films. (4) The trends observed in the tensile behavior of films cast using different deposition processes held true for both P3HpT and poly(3-butylthiophene) (P3BT), an analogue with a higher glass transition temperature. Grazing incidence X-ray diffraction and ultraviolet–visible spectroscopy reveal many notable differences in the solid structures of P3HpT films generated by all four processes. Herein, while these morphological differences provide possible explanations for differences in the electronic properties (hole mobility), we find that the mechanical properties of the film are dominated by the free volume and surface topography. In field-effect transistors, spread films had mobilities more than 1 magnitude greater than any other films, likely due to a relatively high proportion of edge-on texturing and long coherence length in the crystalline domains. Overall, spread films offer the best combination of deformability and charge-transport properties.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Mechanical Properties of 2D LiInP 2 Se 6 : Implication for Semiconductor Applications

Metal phosphorus trichalcogenides (MPTCs) are emerging 2D semiconductor materials with unique functional properties that set them apart from other 2D systems. Despite the importance of their mechanical properties for improving the semiconductor device’s durability and performance, as well as for utilizing strain effects to customize material properties and create new functionality, our current understanding of MPTCs’ mechanical behavior is lacking and lags behind our knowledge of their other properties. Here, we use LiInP 2 Se 6 as a model example of MPTCs and report the first experimental measurements of the elastic and plastic (fracture) properties along both in-plane and out-of-plane directions by atomic force microscopy and nanoindentation. Being a 2D material that is entirely inorganic, LiInP 2 Se 6 surprisingly exhibits mechanical properties that resemble those of hybrid organic–inorganic materials rather than pure inorganic 2D materials. It has a soft crystal structure with low elastic moduli, a low difference in in-plane vs out-of-plane mechanical properties, and a combination of elastic and plastic characteristics of hybrid organic–inorganic materials. Furthermore, our work provides the mechanical information critically needed to mitigate and/or harness the strain effects in LiInP 2 Se 6 -based semiconductor devices and sheds light on the mechanical behaviors of MPTCs with indispensable insights.

2D semiconductor↗
DOE OSTI2025

Machine Learning Approaches to Predicting Induced Seismicity and Imaging Geothermal Reservoir Properties

This project developed machine learning (ML) methods, lab data sets, and field data to advance geothermal exploration and geothermal energy production. The work had three focus areas. One involved the development of ML methods to use microearthquakes (MEQs) for imaging geothermal reservoir properties and improving subsurface characterization – most importantly the evolution of permeability within the evolving reservoir. This part of the work included development of ML approaches for automated MEQ location, focal mechanism determination and identification of earthquake precursors. The second area focused on using MEQ signals generated by geothermal exploration and production to predict the relationship between fluid injection and seismicity. Here, we extended to reservoir scale our success in using ML to predict laboratory earthquakes and fault zone stress state. The third focus area was on lab experiments. Here, we developed new ML models for lab earthquake prediction and identification of precursors to failure to improve earthquake forecasting and early warning in geothermal settings. Major outcomes of our work include ML models that learn from MEQ signals during geothermal exploration and production to predict induced seismicity. MEQs occur naturally in connection with drilling and energy production. We developed ML methods to use the seismic waves from these events to characterize the elastic, hydraulic and poromechanical properties of reservoirs. Our work illuminated fracture geometry and the evolution of fracture permeability by incorporating seismic coda wave analysis and ML methods to relate fluid injection and seismicity. We significantly expanded laboratory earthquake prediction to include methods that use both passive measurements of microearthquakes within the lab fault zones and also active source acoustic measurements of fault zone elastic properties. These methods can now predict fault zone stress state, time to failure and the magnitude of lab earthquakes. Our work showed that repetitive stick- slip failure events during frictional sliding (the lab equivalent of earthquakes) are preceded by a cascade of micro-failure events that radiate energy in a manner that foretells unstable failure – manifest as laboratory MEQs. We documented a mapping between fracture properties and statistical attributes of elastic radiation. We extended existing works to geothermal reservoir scale and developed ML methods to determine reservoir permeability, fracture properties, and their evolution during geothermal energy production. An attractive feature of ML algorithms is their ability to handle big datasets and reveal patterns and correlations that may remain invisible to conventional analyses. Our work connected data from field, laboratory and intermediate scales to study permeability, stress, strength, fracture stiffness and geometry. At the field scale we used data from the Newberry Volcano field site, UtahFORGE, EGS Collab, and also the Bedretto underground research lab in Switzerland. These data sets are bridging the gap between the lab scale, theory, and reservoir scale. Our work produced plain language summaries to improve public understanding of DOE research. We also developed openly distributed ML and seismicity datasets for use by all researchers and we published connections between induced seismicity in geothermal areas and reservoir properties including permeability, fracture properties, and stress state. Our models are designed for the large data sets of induced seismicity typically associated with geothermal sites. We produced labeled event catalogs and used them on geothermal data to assess how ML can facilitate geothermal production and exploration. All datasets are available on the GDR Productivity: The project produced 32 publications in peer reviewed journals (two are in review). It supported the work of 6 PhD students, 40 conference presentations, 6 keynote talks at national meetings, and mentoring and professional development for 4 postdoctoral fellows.

15 GEOTHERMAL ENERGY↗
DOE OSTI2025

Correlating processing variables to material properties in recycled polypropylene: A data‐driven approach

Abstract Polypropylene (PP) is one of the most widely used plastics, yet its recycling remains limited, with less than 1% of solid waste PP being reprocessed. Mechanical recycling through extrusion is the most practical method, but inconsistent reprocessing conditions introduce variability in material properties. While temperature, screw speed, and residence time influence the thermomechanical stress applied during reprocessing, there are no standardized guidelines for optimizing these parameters. This study examines how these factors shape the properties of recycled PP, using conditions designed to mimic post‐industrial recycled (PIR) scrap. Residence time was measured using colorimetric tracking and correlated with molecular weight, viscosity, and mechanical properties over multiple extrusion cycles. Data‐driven modeling, including response surface methodology, support vector machines, and artificial neural networks, identified processing temperature as the dominant factor in material degradation, followed by residence time. Mechanical properties remained stable, while viscosity decreased predictably with increasing residence time. By linking reprocessing conditions to property evolution, this study provides a method to optimize processing parameters and reduce variability in recycled PP. These findings help manufacturers improve process control, making recycled PP more predictable for reuse in manufacturing. Highlights Study of PIR‐quality PP without additives or compatibilizers. Residence time analysis shows processing temperature drives PP property changes. Mark‐Houwink enables quick molecular weight checks for quality control. Models predict mechanical and rheological shifts in reprocessing. Optimized processing parameters minimize property degradation in recycling.

Estela‐García, John E. [Polymer Engineering Center↗