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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Smart, Connected Manufactured Housing Solutions through High-Performance Design. Final CRADA report

This report focuses on HVAC, domestic hot water, and miscellaneous electric loads via voluntary opportunities that may arise from partnerships with utilities, as well as future US Environmental Protection Agency ENERGY STAR and DOE Zero Energy Ready Manufactured Home programs. Phase I of this project has begun the technical dialogue toward developing an implementation plan among DOE’s Oak Ridge National Laboratory, Clayton Manufactured Homes, and US Department of Housing and Urban Development Code manufactured housing stakeholders. These activities have focused on delivering high-performance design through integration of technology. Project tasks include the following: Identifying baseline energy analysis resources opportunities from a variety of DOE and utility stakeholders; Developing a smart home and business solution by leveraging existing utility programs working with Smart Homes Partners resources such as ACE IoT Solutions, Google Nest, and Ecobee; Developing improved smarter ventilation systems with industry ventilation partners such as the Madison Group; Developing improved building science QA/QC testing equipment with manufacturers such as The Energy Conservatory, and supporting other feasible concepts vetted under DOE’s Advanced Buildings Collaborative with Slipstream, reinventing HVAC in manufactured housing; and, Developing smart home short- and long-term viable technical solutions in coordination with Clayton Manufactured Homes in new and/or revitalized community scales for future Phase II prototype demonstrations, which may include design (and perhaps construction) of single-section homes targeting rental property developers and multi-section homes targeting low- to middle-income affordable housing community developers Given the ongoing US Department of Energy (DOE) rulemaking activities, baseline energy analysis assessments of envelope prescriptive and Uo (i.e., the overall thermal energy efficiency of the home in British thermal units per square foot of exterior heat loss/gain surfaces) measures were removed from the scope of Phase I of this project.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

ECAR-7210 Rev 0 Steady-state Thermo-mechanical Analysis of the MARVEL Fuel Bundle

This document reports the steady-state thermal-hydraulic and static mechanical analyses of the MARVEL micro-reactor core. The objective of this work is to investigate whether fuel-to-fuel contact could occur due to the thermal deformation of the fuel cladding during the normal operation and to assess the resulting impact on the peak cladding temperatures (PCT) if contact occurs. The scope of the work consists of three computational tasks. First, a conjugate heat transfer analysis using computational fluid dynamics (CFD) model was performed to evaluate the PCTs during normal operating conditions. Second, a finite element analysis (FEA) using the cladding temperature field obtained from the CFD analysis was performed to evaluate the thermal deformation of cladding and determine the occurrence of fuel-to-fuel contact. Finally, a CFD analysis of FEA-informed fuel-to-fuel gap (represented by a conservative 0.05 mm uniform gap) was performed to evaluate whether the PCT exceeds the safety criteria.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗
DOE OSTI2019

GeoVision Analysis Supporting Task Force Report: Barriers-An Analysis of Non-Technical Barriers to Geothermal Deployment and Potential Improvement Scenarios

This report describes research and analysis performed in support of the U.S. Department of Energy Geothermal Technologies Office for its Geothermal Vision Study. A summary of the study is captured in DOE’s report, GeoVision: Harnessing the Heat Beneath Our Feet and included ground-breaking, detailed research on geothermal technologies. The study projects and quantifies the future electric and nonelectric deployment potentials of these geothermal technologies within a range of scenarios in addition to their impacts on U.S. jobs, the economy, and environment. Coordinated by the U.S. Department of Energy Geothermal Technologies Office, the Geothermal Vision Study development relied on collecting, modeling, and analyzing robust data sets through seven national laboratory partners that were organized into eight technical task force groups. These task forces and their respective principal leading national laboratory are listed in Table F-1. The table also provides a guide to the final research documents produced by each GeoVision task force. In most cases, these were prepared as laboratory reports, and they are referenced accordingly. Consult these external reports for detailed discussions of the topics contained within, which form the basis of the GeoVision analysis.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Sim-Situ: A Framework for the Faithful Simulation of in situ Processing

The amount of data generated by numerical simulations in various scientific domains led to a fundamental redesign of how the analysis and visualization of simulation outputs are performed. The throughput and capacity of storage subsystems have not evolved as fast as the computing power in extreme-scale supercomputers, making the classical post-hoc approach highly inefficient. In situ processing has then emerged as a solution in which simulation and data analysis/visualization are intertwined for better performance and greater interactivity.Determining the best allocation, i.e., how many resources to allocate to simulation and analysis respectively, mapping, i.e., where and at which frequency to run the analysis/visualization, and data transfer mode is a complex task whose performance assessment is crucial to the efficient execution of in situ processing. However, such a performance evaluation of different strategies usually relies either on directly running them on the targeted execution environments, which can rapidly become extremely time- and resource-consuming, or on resorting to simplified models of the components of an in situ application, which can lack of realism. In both cases, the validity of the performance evaluation is limited.In this paper, we present Sim-Situ, a simulation-based framework for the faithful performance evaluation of in situ processing strategies. We designed Sim-Situ to reflect the typical features of in situ processing systems. Thanks to its modular design, Sim-situ has the necessary flexibility to easily and faithfully evaluate the behavior and performance of various allocation, mapping, and data transfer strategies. We illustrate the simulation capabilities of Sim-Situ on a Molecular Dynamics use case. We study the impact of different strategies on performance and show how users can leverage Sim-Situ to determine interesting tradeoffs when adding analysis/visualization components to their application.

Honoré, Valentin↗
DOE OSTI2024

Benchmarking machine learning strategies for phase-field problems

Abstract We present a comprehensive benchmarking framework for evaluating machine-learning approaches applied to phase-field problems. This framework focuses on four key analysis areas crucial for assessing the performance of such approaches in a systematic and structured way. Firstly, interpolation tasks are examined to identify trends in prediction accuracy and accumulation of error over simulation time. Secondly, extrapolation tasks are also evaluated according to the same metrics. Thirdly, the relationship between model performance and data requirements is investigated to understand the impact on predictions and robustness of these approaches. Finally, systematic errors are analyzed to identify specific events or inadvertent rare events triggering high errors. Quantitative metrics evaluating the local and global description of the microstructure evolution, along with other scalar metrics representative of phase-field problems, are used across these four analysis areas. This benchmarking framework provides a path to evaluate the effectiveness and limitations of machine-learning strategies applied to phase-field problems, ultimately facilitating their practical application.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Pumped-Storage Hydropower using Abandoned Underground Mines (PSH-AUM) as an Innovative Energy Storage Technology for Fossil-Integrated Systems

Pumped-storage hydropower (PSH) provides around 95% of all utility-scale energy storage in the U.S. and globally. Additional deployment of PSH is hampered by excessively long permitting and commissioning requirements and is constrained to locations for which natural topography provides suitable elevation relief between the upper and lower reservoirs (the ΔH challenge). The purpose of this research was to evaluate Pumped-Storage Hydropower using Abandoned Underground Mines (PSH-AUM) as a means to solve the ΔH challenge and initiate the commercialization pathway for a promising new energy storage technology. Four primary tasks were conducted: Screening and ranking of candidate sites for project development; multiphase reservoir modeling to evaluate mine performance; techno-economic analysis and preliminary designs for PSH-AUM systems integrated with fossil-fuel power units; and stakeholder engagement to identify pathways to commercialization of this new technology. Key results were achieved in each of the four primary tasks. Candidate site screening determined that nearly 10,000 underground mines were spatially locatable, of which more than 100 sites appear suitable for integration with existing fossil power plants that are expected to remain in longer-term operation. Mine reservoir models were developed using PNNL’s STOMP simulator and parameterized using candidate site data to evaluate interactions with the surrounding groundwater system and confirm the potential for some mines to accommodate inflows and outflows on the order of 100 m3/s over 8-hour durations (1.6 GWh system) without excessive aqueous pressures. Techno-economic analysis resulted in a project cost optimization scheme to identify key sensitivities and the development of preliminary designs that can minimize overall costs of deployment. Finally, stakeholder engagement with industry, state government, and local economic development leaders confirmed the viability of PSH-AUM as a promising new technology. Our Phase I project results suggest that PSH-AUM technology has a domestic market potential on the order of $100+ Billion with ample space for technology development to commercialization within the next decade.

13 HYDRO ENERGY↗
DOE OSTI2022

AIMSim : An accessible cheminformatics platform for similarity operations on chemicals datasets

The recent advances in deep learning, generative modeling, and statistical learning have ushered in a renewed interest in traditional cheminformatics tools and methods. Quantifying molecular similarity is essential in molecular generative modeling, exploratory molecular synthesis campaigns, and drug-discovery applications to assess how new molecules differ from existing ones. Further, most tools target advanced users and lack general implementations accessible to the larger community. In this work, we introduce Artificial Intelligence Molecular Similarity (AIMSim), an accessible cheminformatics platform for performing similarity operations on collections of molecules called molecular datasets. AIMSim provides a unified platform to perform similarity-based tasks on molecular datasets, such as diversity quantification, outlier and novelty analysis, clustering, dimensionality reduction, and inter-molecular comparisons. AIMSim implements all major binary similarity metrics and molecular fingerprints and is provided as a Python package that includes support for command-line use as well as a Graphical User Interface for code-free utilization with fully interactive plots.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Deep Learning for Subsurface Flow: A Comparative Study of U‐Net, Fourier Neural Operators, and Transformers in Underground Hydrogen Storage

Subsurface flow research is essential for the sustainable management of natural resources and the environment. Deep learning (DL) has significantly advanced this field by developing efficient and accurate surrogate models to replace computationally expensive physics‐based simulations. These surrogate models are commonly used to predict the spatiotemporal evolution of state variables, such as gas saturation and reservoir pressure, in heterogeneous geological formations. Despite the various DL models applied to this task, there is a lack of studies systematically comparing their performance. This absence of comparative analysis leads to somewhat arbitrary DL model selection in subsurface flow research, resulting in suboptimal performance and potentially inaccurate predictions. To bridge this gap, we conduct a systematic comparison study of three popular DL architectures—U‐Net, Fourier Neural Operators (FNO), and Segmentation Transformer (SETR)—in surrogate modeling of underground hydrogen storage (UHS). We focus on UHS due to its promise of enhancing clean energy resilience and its cyclic operational conditions that represent common scenarios in various subsurface applications. We evaluate the models based on accuracy, training cost, and inference speed. The comparison shows that U‐Net achieves the highest accuracy, followed by SETR and FNO. Despite its lower accuracy, FNO has the highest inference speed. SETR offers competitive accuracy with the least training memory usage, demonstrating the potential of transformers in learning subsurface flow. Our results provide guidance for selecting DL models for surrogate modeling in a wide range of subsurface flow problems.

42 ENGINEERING↗
DOE OSTI2016

SU-F-T-486: A Simple Approach to Performing Light Versus Radiation Field Coincidence Quality Assurance Using An Electronic Portal Imaging Device (EPID)

Purpose: To develop an accurate, straightforward, and user-independent method for performing light versus radiation field coincidence quality assurance utilizing EPID images, a simple phantom made of readily-accessible materials, and a free software program. Methods: A simple phantom consisting of a blocking tray, graph paper, and high-density wire was constructed. The phantom was used to accurately set the size of a desired light field and imaged on the electronic portal imaging device (EPID). A macro written for use in ImageJ, a free image processing software, was then use to determine the radiation field size utilizing the high density wires on the phantom for a pixel to distance calibration. The macro also performs an analysis on the measured radiation field utilizing the tolerances recommended in the AAPM Task Group #142. To verify the accuracy of this method, radiochromic film was used to qualitatively demonstrate agreement between the film and EPID results, and an additional ImageJ macro was used to quantitatively compare the radiation field sizes measured both with the EPID and film images. Results: The results of this technique were benchmarked against film measurements, which have been the gold standard for testing light versus radiation field coincidence. The agreement between this method and film measurements were within 0.5 mm. Conclusion: Due to the operator dependency associated with tracing light fields and measuring radiation fields by hand when using film, this method allows for a more accurate comparison between the light and radiation fields with minimal operator dependency. Removing the need for radiographic or radiochromic film also eliminates a reoccurring cost and increases procedural efficiency.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Deep neural network uncertainty quantification for LArTPC reconstruction

We evaluate uncertainty quantification (UQ) methods for deep learning applied to liquid argon time projection chamber (LArTPC) physics analysis tasks. As deep learning applications enter widespread usage among physics data analysis, neural networks with reliable estimates of prediction uncertainty and robust performance against overconfidence and out-of-distribution (OOD) samples are critical for their full deployment in analyzing experimental data. While numerous UQ methods have been tested on simple datasets, performance evaluations for more complex tasks and datasets are scarce. Here we assess the application of selected deep learning UQ methods on the task of particle classification using the PiLArNet monte carlo 3D LArTPC point cloud dataset. We observe that UQ methods not only allow for better rejection of prediction mistakes and OOD detection, but also generally achieve higher overall accuracy across different task settings. We assess the precision of uncertainty quantification using different evaluation metrics, such as distributional separation of prediction entropy across correctly and incorrectly identified samples, receiver operating characteristic curves (ROCs), and expected calibration error from observed empirical accuracy. We conclude that ensembling methods can obtain well calibrated classification probabilities and generally perform better than other existing methods in deep learning UQ literature.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Performance Testing of a Moving-Bed Gasifier Using Coal, Biomass, and Waste Plastic Blends with Washed and Unwashed Legacy Coals and Other Waste Fuels to Generate White Hydrogen

The objective of this effort, primarily funded by the United States Department of Energy (DOE), and led by the Electric Power Research Institute, Inc. (EPRI), with support by Hamilton Maurer International (HMI) and Sotacarbo S.p.A. (Sotacarbo), has been to qualify coal, biomass, and plastic waste blends based on performance testing of selected fuel pellet compositions in a pilot-scale updraft moving-bed (UDMB) gasifier. The testing provided relevant data to advance the commercial-scale design of the moving-bed gasifier to be able to successfully use these feedstocks to produce hydrogen. In particular, the effects of waste plastics on feedstock development (i.e., blending and pelletizing) and the resulting products (i.e., syngas compositions, organic condensate production, and ash characteristics) are the focus. The gasifier used for testing is HMI’s moving-bed gasifier, which has been proven capable of gasifying nearly all coal ranks. It has also shown the ability in prior testing work to gasify wood chips (biomass). However, mixtures of these fuels with plastic wastes have not been prepared and gasified together. The three feedstocks were densified and pelletized by California Pellet Mill (CPM) to meet the feedstock size required by Sotacarbo’s 30mm ID UDMB gasifier, under contract to HMI. The technical tasks and results from this two-year research project included: (1) Feed Procurement and Preparation: Nine different tri-fuel pellets were prepared from varying compositions of fresh mined PRB coal, corn stover biomass, and car fluff waste plastics. Tri-fuel pellets were produced by CPM and shipped to Sotacarbo’s test facility in Carbonia, Sardinia, Italy. (2) Test Plan Development: A test plan was created to define the test runs to be performed. The test plan detailed the different UDMB gasification tests to be performed in Sotacarbo’s 12-inch ID pilot scale gasifier, the process monitoring instrumentation used, and the extractive samples recovered for analysis of the total gasification process mass and energy balance. (3) Gasifier Testing: Nine different gasification runs were performed in the pilot-scale gasifier at Sotacarbo using nine different fuel feedstock compositions generated from varying mixtures of PRB coal, biomass, and plastic wastes. The testing generated performance data on gasification reaction efficiency and performance, yielding relevant data for models used to scale up the gasifier design. This task also included work to refurbish and reassemble the pilot gasifier at Sotacarbo and perform a baseline 100% PRB coal run. (4) Data Analysis and Reporting: Review of the data, determination of figures of merit, and interpretation of the results are reported in the project’s final report, published in March 2024. The results show that all tri-fuel pellets gasified well and maintained structural integrity throughout the gasification process. The syngas generated can be shifted to hydrogen by using commercial syngas shifting technologies. (5) High Fidelity computational fluid dynamics (CFD) Simulation: The National Energy Technology Laboratory (NETL) team performed CFD simulations of the UDMB gasifier for two of the tri-fuel pellets gasified in Sotacarbo’s pilot scale gasifier. The kinetic mechanisms for the pyrolysis of each constituent, PRB coal, corn stover biomass, and waste plastics are based on thermogravimetric analysis performed by Sotacarbo. The gasification model was validated by comparing the predicted syngas composition at the exit of the gasifier with the measured syngas composition. In addition, the reactor’s measured internal temperature profile agreed well with the predicted internal reactor temperature profile. These results validate that the model can be used to predict the performance of the updraft moving bed gasifier for different feedstocks and operating conditions. This paper summarizes the results of the completed work in which the pelletizing procedure was validated to ensure the viability of the tri-fuel pellets for the gasification runs performed at Sotacarbo’s 30 mm UDMB gasifier. The gasification performance data from this series of nine runs will enable modeling of a full-scale HMI industrial scale gasifier supporting both combined heat and power, and Hydrogen production from coal (both fresh mined and legacy) combined with various biomass and waste plastics. Additionally, plans and progress on a follow-up project, being executed by the same project team, will be presented. In this project, a total of twenty (20) different feedstocks are being prepared from varying compositions of biomass (both woody biomass and corn stover) with a mixture of legacy coal waste, plastic waste, and refuse-derived fuel (RDF). The testing will provide information on gasification reaction efficiency/performance, yielding relevant data for models used to scale up the gasifier design to 50 megawatt electric (MWe) (equivalent hydrogen production). Tests will also be performed on a bench-scale fluidized-bed gasifier for comparison purposes. The results of this testing will be used to specify the range of feedstock blends that can be successfully gasified as well as quantify gasifier outputs based on specific blends.

08 HYDROGEN↗
DOE OSTI2022

Performance Enhancement of APW+lo Calculations by Simplest Separation of Concerns

Full-potential linearized augmented plane wave (LAPW) and APW plus local orbital (APW+lo) codes differ widely in both their user interfaces and in capabilities for calculations and analysis beyond their common central task of all-electron solution of the Kohn–Sham equations. However, that common central task opens a possible route to performance enhancement, namely to offload the basic LAPW/APW+lo algorithms to a library optimized purely for that purpose. To explore that opportunity, we have interfaced the Exciting-Plus (“EP”) LAPW/APW+lo DFT code with the highly optimized SIRIUS multi-functional DFT package. This simplest realization of the separation of concerns approach yields substantial performance over the base EP code via additional task parallelism without significant change in the EP source code or user interface. We provide benchmarks of the interfaced code against the original EP using small bulk systems, and demonstrate performance on a spin-crossover molecule and magnetic molecule that are of size and complexity at the margins of the capability of the EP code itself.

Zhang, Long↗
DOE OSTI2021

Modeling of particle transport, neutrals and radiation in magnetically-confined plasmas with Aurora

In this work, we present Aurora, an open-source package for particle transport, neutrals and radiation modeling in magnetic confinement fusion plasmas. Aurora's modern multi-language interface enables simulations of 1.5D impurity transport within high-performance computing frameworks, particularly for the inference of particle transport coefficients. A user-friendly Python library allows simple interaction with atomic rates from the Atomic Data and Atomic Structure database as well as other sources. This enables a range of radiation predictions, both for power balance and spectroscopic analysis. We discuss here the superstaging approximation for complex ions, as a way to group charge states and reduce computational cost, demonstrating its wide applicability within the Aurora forward model and beyond. Aurora also facilitates neutral particle analysis, both from experimental spectroscopic data and other simulation codes. Leveraging Aurora's capabilities to interface SOLPS-ITER results, we demonstrate that charge exchange is unlikely to affect the total radiated power from the ITER core during high performance operation. Finally, we describe the ImpRad module in the one modeling framework for integrated task framework, developed to enable experimental analysis and transport inferences on multiple devices using Aurora.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Geant4 Computing Performance Benchmarking and Monitoring

Performance evaluation and analysis of large scale computing applications is essential for optimal use of resources. As detector simulation is one of the most compute intensive tasks and Geant4 is the simulation toolkit most widely used in contemporary high energy physics (HEP) experiments, it is important to monitor Geant4 through its development cycle for changes in computing performance and to identify problems and opportunities for code improvements. All Geant4 development and public releases are being profiled with a set of applications that utilize different input event samples, physics parameters, and detector configurations. Results from multiple benchmarking runs are compared to previous public and development reference releases to monitor CPU and memory usage. Observed changes are evaluated and correlated with code modifications. Besides the full summary of call stack and memory footprint, a detailed call graph analysis is available to Geant4 developers for further analysis. The set of software tools used in the performance evaluation procedure, both in sequential and multi-threaded modes, include FAST, IgProf and Open|Speedshop. In conclusion, the scalability of the CPU time and memory performance in multi-threaded application is evaluated by measuring event throughput and memory gain as a function of the number of threads for selected event samples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

SNL Human Reliability Analysis (Capstone Final Report)

Sandia National Laboratories (SNL) requested a measure of possible human error for each state verification method for a safety mechanism performed at partnering production agencies. A team of three human factors individuals were tasked with conducting observations during site visits of both production agencies in order to complete a Human Reliability Analysis (HRA). A HRA will be used because it provides both qualitative and quantitative reports of human error. This report is the first phase of that effort, which will describe the methods which occur at one of the production agencies.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2020

Combined Effort to De-Inventory the New Brunswick Laboratory of Plutonium Certified Reference Materials - 20504

To de-inventory plutonium Certified Reference Materials standards (CRMs) from the New Brunswick National Laboratory (NBL), the Argonne National Laboratory (ANL) and Savannah River National Laboratory (SRNL) formed a unique team. This teaming arrangement leveraged the different capabilities and expertise of both laboratories, helping to ensure the effort would be performed both safely and cost-effectively. With the NBL then physically housed on the ANL site, ANL served as the host-site, providing the necessary facilities and support services (e.g., supplying everything from hoods, loading equipment, and scales to Health Physics supports). From a packaging perspective, ANL's responsibilities focused mainly on characterizing and preparing the contents for shipment, followed by performing the Shipper of Record activities. With SRNL being the Package Design Authority of the 9978, the Type B packaging used for this effort, SRNL's scope included developing a Safety Analysis Report in Packaging (SARP) Letter Amendment to add the CRMs as authorized contents to the 9978. Recognizing competency, ANL prodigiously tasked SRNL to perform the actual loading of the CRMs into the 9978s, while physically on the ANL site. This paper details five different aspects of this effort. They are: 1. Characterization/validation of the CRM contents. 2. Development of the 9978 SARP Letter Amendment for the content change. 3. Development of the nitrogen inerting method to address SARP identified potential flammability concerns. 4. Renewal of the SRNL 9978 loading procedure. 5. Performance of the actual work execution activities. In 2017, the first nine packages were successfully loaded and shipped from NBL, while in 2019, the last ten were successfully loaded and planned for shipment. Without ANL leveraging SRNL's strengths, the de-inventorying of NBL of its plutonium CRMs would have likely taken many years longer. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Digital Rocks Portal (Digital Porous Media): Connecting data, simulation and community

Digital Rocks Portal (DRP, https://www.digitalrocksportal.org) organizes and preserves imaged datasets and experimental measurements of porous materials in subsurface, and beyond, with the mission to connect them to simulation and analysis, as well as educate the research community. We have over 150 projects represented in more than 200 publications, and an active community that reuses the data, most recently in multiple machine learning applications for automating image analysis as well as the prediction of transport. Such automation is crucial for performing formation evaluation tasks in near-real time. We present benchmark datasets that have played a role in recent machine learning prediction successes in the field. We further discuss the vision for further research advances, educational materials, as well as growth and sustainability plan of this digital rock physics community resource. In particular, we are in the process of expanding into a broader repository of engineered porous materials, specifically those for energy storage and the portal will transition to Digital Porous Media (DPM) in near future.

58 GEOSCIENCES↗