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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A Conceptual Design for a Mobile Application to Support Infield Inventory Activities

This paper introduces an inventory assistant being developed at Oak Ridge National Laboratory (ORNL) that we believe will empower users to perform inventory activities at nuclear facilities more accurately, reliably, and quickly. Inventory activities at nuclear facilities are often conducted using pen and paper, which can be time-consuming, tedious, and susceptible to reading or transcription errors. The proposed inventory assistant would replace the paper-based process used by International Atomic Energy Agency (IAEA) inspectors, nuclear facility operators, or verification monitors to complete an inventory of nuclear and non-nuclear items. In general, the inventory assistant would ingest an inventory list, distribute assigned items from the inventory list to one or more mobile devices, enable inventory teams to record their observations in the field, and then enable an inventory lead to integrate and reconcile the observations to produce a final report. The assistant consists of two software components—one for the inventory teams to record observations in the field (In-Field Observations App [IFOA]) and one for the inventory lead to reconcile the inventory list with observations (Distribution, Integration, and Reconciliation Application [DIRA]). This paper introduces the overall workflow of the inventory assistant and describes the IFOA user experience in more detail. To demonstrate the concept, the authors present a use case of IAEA inspectors conducting item counting and tag checking activities of UF6 cylinders at a gas centrifuge enrichment plant with a large number of UF6 cylinders (e.g., thousands). These activities can currently require 30–40 person-days of inspection to complete. Based on experiences during an exercised performed at the IAEA by the ORNL team in 2016, we believe an inventory assistant could allow the IAEA to complete item counting and tag checking using the global identifier or the operator’s barcode in 8–10 person-days of inspection. We would expect other users (e.g., facility operators or verification monitors) to also benefit from significant time savings.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Measuring and Extracting Activity from Time Series Data

This report summarizes the results of an LDRD focused on developing and demonstrating statistically rigorous methods for analyzing and comparing complex activities from remote sensing data. Identifying activity from remote sensing data, particularly those that play out over time and span multiple locations, often requires extensive manual effort because of the variety of features that describe the activity and the required domain expertise. Our results suggest that there are some hidden challenges in extracting and representing activities in sensor data. In particular, we found that the variability in the underlying behaviors can be difficult to overcome statistically, and the report identifies several examples of the issue. We discuss key lessons learned in the context of the project, and finally conclude with recommendations on next steps and future work.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

International Collaborations Activities on Disposal in Argillite R&D: Characterization Studies and Modeling Investigations

This interim report is an update of ongoing experimental and modeling work on bentonite material described in Jové Colón et al. (2019, 2020) from past international collaboration activities. As noted in Jové Colón et al. (2020), work on international repository science activities such as FEBEX-DP and DECOVALEX19 is either no longer continuing by the international partners. Nevertheless, research activities on the collected sample materials and field data are still ongoing. Descriptions of these underground research laboratory (URL) R&D activities are described elsewhere (Birkholzer et al. 2019; Jové Colón et al. 2020) but will be explained here when needed. The current reports recent reactive-transport modeling on the leaching of sedimentary rock.

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

Modeling Activities Related to Waste Form Degradation: Progress Report

This report represents the milestone deliverable M4SF-21SN010309021 “Modeling Activities Related to Waste Form Degradation: Progress Report” that describes the progress of R&D activities of ongoing modeling investigations specifically on nuclear waste glass degradation, Density Functional Theory (DFT) studies on clarkeite structure and stability, and electrochemical modeling of spent nuclear fuel (SNF). These activities are part of the newly-created Waste form Testing, Modeling, and Performance work package at Sandia National Laboratories (SNL). This work package is part of the “Inventory and Waste Form Characteristics and Performance” control account that includes various experimental and modeling activities on nuclear waste degradation conducted at Oak Ridge National Laboratory (ORNL), SNL, Argonne National Laboratory (ANL), and Pacific Northwest National Laboratory (PNNL).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Gemma V&V/UQ/Credibility Activities: FY2020 Progress

This report describes the credibility activities undertaken in support of Gemma code development in FY20, which include Verification & Validation (V&V), Uncertainty Quantification (UQ), and Credibility process application. The main goal of these activities is to establish capabilities and process frameworks that can be more broadly applied to new and more advanced problems as the Gemma code development effort matures. This will provide Gemma developers and analysts with the tools needed to generate credibility evidence in support of Gemma predictions for future use cases. The FY20 Gemma V&V/UQ/Credibility activities described in this report include experimental uncertainty analysis, the development and use of methods for optimal design of computer experiments, and the development of a framework for validation. These initial activities supported the development of broader credibility planning for Gemma that continued into FY21.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Earned Value Management Systems for Operations Activities

An earned value management system (EVMS), which monitors contractor performance, is a requirement for program and project management for all major acquisitions by the United States Federal Government with development effort: (i.e., an asset requiring management attention because of its importance to an agency’s mission; high development, operating, or maintenance costs; high risk and/or high return). As an area less explored in earned value management (EVM) practices, this paper will survey the application of an EVMS for operations activities defined as: (1) Non-capital asset activities that are projects (or project - like) with definable start and end dates, with discrete scopes of work, and measurable accomplishments; as well as (2) Routine or recurring facility or environmental operations. This paper will examine the use of an EVMS to evaluate performance of operations and maintenance activities required once construction of a capital asset is complete and being used as intended. Such activities include upgrades and maintenance in order for capital assets to meet their mission function over a life-cycle (through repair, replacement, etc.). This paper will provide background on this topic from the perspective of the Department of Energy (DOE) Environmental Management (EM) Program. In addition, it will provide material from a panel discussion provided by a group of experts from the October 2019 Office of Environmental Management Project Management Workshop, as well as material from subsequent research on this topic.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Network Models of Active Degradation Mechanisms and Pathways for Service Life Prediction of Indoor and Outdoor PV Modules

ct: PV service lifetime prediction (SLP) enables accurate calculation of levelized cost of energy (LCOE), which is crucial to rationalizing PV investment and installation. However, SLP is challeging since PV reliability in the field is affected by many combined factors, including various environmental stresses and module quality. In order to map out the active degradation mechanisms and pathways that best resemble real world conditions, we introduce the framework of a study protocol and use network models fitted to data, to enable analysis and SLP of complex PV systems with multiple active degradation mechanisms. The study protocol is the experimental design, including module variants and different exposure conditions, selection of evaluation methods, time-series data acquisition and training of network models to these data. We present SLP of minimodules in the lab and PV systems in the field. For lab SLP, minimodules with 8 variants based on manufacturer, architecture, and encapsulation were prepared and aged in modified damp heat with or without full spectrum light exposure. Stepwise I-V and Suns-Voc data acquisition tracks changes in electrical properties including Rs,IV, Isc,IV, Vmp,PIV providing insights into power loss of minimodules. Network structural equation modeling (netSEM) was utilized to construct degradation pathway models that identify active degradation mechanisms and predict power loss over time. For field SLP, datastreams of Pmp values and I-V curve datastreams of two types of modules installed in three distinctly different Köppen-Geiger climate zones for 9 years were acquired. With power loss modes corresponding to uniform current loss (ΔPIsc), recombination (ΔPVoc), series resistance (ΔPRs), and current mismatch (ΔPImis) determined, the performance loss rates (PLR) were determined using PVplr. We show how to establish a study protocol framework to ensure appropriate parametric variations and valid data collection from the variants of your complex systems. Then the data-driven netSEM model fitting provides a comprehensive mapping of multiple active degradation mechanisms, and accurate service life prediction.

network model, degradation, photovoltaic, solar↗
DOE OSTI2023

Investigation of Coincidence Counting for Improving Minimal Detectable Activity of 110m Ag in Single Particle Gamma Analysis

Post-irradiation examination (PIE) of fuel particles from the fourth Advanced Gas Reactor Fuel Development and Qualification (AGR) Program irradiation (AGR-5/6/7) is being performed at Oak Ridge National Laboratory (ORNL). Tristructural isotropic (TRISO)-coated particles and associated compacts for the AGR-5/6/7 experiment fabricated by BWX Technologies Nuclear Operations Group were formed into a graphite matrix compact and irradiated at the Advanced Test Reactor at Idaho National Laboratory. At ORNL, particles are deconsolidated from the graphite matrix compact and individually scanned for emitted gamma rays with the Irradiated Microsphere Gamma Analyzer (IMGA). The IMGA system comprises a single high purity germanium (HPGe) detector, an automated particle handling vacuum system, and an ORTEC DSPEC-50 digital spectrometer for gamma ray analysis. IMGA quantifies gamma ray-emitting fission product inventories of individual TRISO particles, and these inventories can be compared with the measured average inventories per particle and radionuclide inventories predicted by AGR-5/6/7 physics calculations to determine if a particle experienced radionuclide release. Details on IMGA data collection methods can be found in the literature. The TRISO particle’s SiC layer provides structural support, as well as a barrier for fission product release during irradiation or subsequent safety testing. A weakened or compromised SiC layer can be identified by the release of radionuclides, such as 137 Cs, which is detected by IMGA. However, select radionuclides, such as 90 Sr, 110 mAg, and 154 Eu have been shown to migrate through an intact SiC layer. Measurement of the radionuclide 110 mAg is significant as its release has been shown to be particularly sensitive to in-reactor conditions (e.g., temperature) with broad variable particle to-particle release behaviors observed within a single compact. As such, 110 mAg activity is often used for particle selection for comprehensive PIE as bounding 110 mAg retention particles are hypothesized to represent limits in particle behaviors within a compact. As TRISO particle fuel PIE activities continue over time, IMGA measurements of the 110 mAg inventory are eventually hindered because of its relatively short half-life (~250 days). As the fuel ages from its end of irradiation (EOI) date, the measurement uncertainty and minimum detectable activity (MDA) of 110m Ag increase because the detector background continuum begins to dominate. For particles from the second AGR irradiation experiment (AGR-2), the 110m Ag MDA was above 20% of the calculated average particle inventory after approximately five half-lives, and 110m Ag activity was no longer measurable with IMGA after approximately seven half-lives. Therefore, coincidence counting approaches have been explored to determine feasibility of leveraging new approaches to overcome limitations associated with increasing MDA over time.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Neutral rhenium(i) tricarbonyl complexes with sulfur-donor ligands: anti-proliferative activity and cellular localization

Rhenium(I) tricarbonyl complexes are widely studied for their cell imaging properties and anticancer and anti-microbial activities, but the complexes with S-donor ligands remain relatively unexplored. A series of six fac-[Re(NN)(CO) 3 (SR)] complexes, where (NN) is 2,2'-bipyridyl (bipy) or 1,10-phenanthroline (phen), and RSH is a series of thiocarboxylic acid methyl esters, have been synthesized and characterized. Cellular uptake and anti-proliferative activities of these complexes in human breast cancer cell lines (MDA-MB-231 and MCF-7) were generally lower than those of the previously described fac-[Re(NN)(CO) 3 (OH 2 )] + complexes; however, one of the complexes, fac-[Re(CO) 3 (phen)(SC(Ph)CH 2 C(O)OMe))] (3b), was active (IC 50 ~ 10 μM at 72 h treatment) in thiol-depleted MDA-MB-231 cells. Moreover, unlike fac- [Re(CO) 3 (phen)(OH 2 )] + , this complex did not lose activity in the presence of extracellular glutathione. Taken together these properties show promise for further development of 3b and its analogues as potential anti-cancer drugs for co-treatment with thiol-depleting agents. Conversely, the stable and non-toxic complex, fac-[Re(bipy)(CO) 3 (SC(Me)C(O)OMe)] (1a), predominantly localized in the lysosomes of MDA-MB-231 cells, as shown by live cell confocal microscopy (λ ex = 405 nm, λ em = 470-570 nm). It is strongly localized in a subset of lysosomes (25 μM Re, 4 h treatment), as shown by co-localization with a Lysotracker dye. Longer treatment times with 1a (25 μM Re for 48 h) resulted in partial migration of the probe into the mitochondria, as shown by co-localization with a Mitotracker dye. These properties make complex 1a an attractive target for further development as an organelle probe for multimodal imaging, including phosphorescence, carbonyl tag for vibrational spectroscopy, and Re tag for X-ray fluorescence microscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Active Nematic Ratchet in Asymmetric Obstacle Arrays

We numerically investigate the effect of an asymmetric periodic obstacle array in a two-dimensional active nematic. We find that activity in conjunction with the asymmetry leads to a ratchet effect or unidirectional flow of the fluid along the asymmetry direction. The directional flow is still present even in the active turbulent phase when the gap between obstacles is sufficiently small. We demonstrate that the dynamics of the topological defects transition from flow-mirroring to smectic-like as the gap between obstacles is made smaller, and explain this transition in terms of the pinning of negative winding number defects between obstacles. This also leads to a non-monotonic ratchet effect magnitude as a function of obstacle size, so that there is an optimal obstacle size for ratcheting at fixed activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Modeling Activities Related to Waste Form Degradation: Progress Report

This report represents the milestone deliverable M4SF-22SN010309092 “Modeling Activities Related to Waste Form Degradation: Progress Report” that describes the progress of R&D activities of ongoing modeling investigations specifically on nuclear waste glass degradation, Density Functional Theory (DFT) studies on clarkeite structure and stability, and electrochemical model development of spent nuclear fuel (SNF). These activities are part of the Waste Form Testing, Modeling, and Performance work package at Sandia National Laboratories (SNL). This work package is part of the “Inventory and Waste Form Characteristics and Performance” control account that includes various experimental and modeling activities on nuclear waste degradation conducted at Oak Ridge National Laboratory (ORNL), SNL, Argonne National Laboratory (ANL), and Pacific Northwest National Laboratory (PNNL).

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

Rational Selection of Transition-Metal Oxide Electrocatalysts from Structure Electronic Structure-Activity Relations: The Role of Defects, Strain, and Sub-Surface Layering

This BES research investigates the physicochemical properties of metal oxides and how they affect electrocatalytic functionalities. The goal is to develop a predictive framework for realizing top-performing electrocatalytic materials for energy-critical reactions. The hypothesis is that well-defined thin films allow detailed mapping of structural-activity relationships because flat surfaces are more straightforward to characterize. Furthermore, the well-defined nature of thin-film metal oxides allows precise tuning of structural and chemical variables for structure-activity-relationship mapping. The proposed research has two technical objectives. The first is to experimentally assess whether the binding energies of surface oxygen can serve as an activity descriptor for oxygen electrocatalysis on metal oxides and then how to control them by tuning the structure and chemical variables. The second is to find the rate-limiting process in oxygen electrocatalysis and other small-molecule reactions. Similar mechanistic insights have been developed on well-defined platinum surfaces but not yet on oxides. This research addresses this gap and uses electrochemistry and X-ray photoemission spectroscopy to study oxide surface chemistry. The obtained insights are collectively analyzed to reveal how the oxides’ structural and chemical variables affect kinetics and can be used to design more active electrocatalysts for energy-critical reactions.

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

LBNF Material Activation Study

This poster presents a study on material activation at the Fermilab Long-Baseline Neutrino Facility (LBNF), focusing on understanding how high-energy beams interact with surrounding materials to produce radioactive isotopes. Using a simplified model of the LBNF-20 bunker and the FLUKA Monte Carlo simulation tool, the project quantifies isotope production at key locations inside and outside the shielding structures. The study employs a two-step simulation process, tracking primary and secondary particles, and explores the impact of different geometric and material configurations on activation rates. Results include preliminary comparisons of simulated activation rates and suggest methods for refining geometry, improving accuracy, and efficiently simulating future configurations. This work informs the design and operation of the LBNF facility, aiding in radiation safety and shielding optimization. Future efforts will focus on sample iteration, automated simulations, and detailed residual isotope analyses to further enhance the understanding of material activation in high-energy physics environments.

Pietraszek, Jacob [Unlisted, US]↗
DOE OSTI2025

Descriptors for Cu facets for CO2 reduction reaction activity

Computation screening is crucial for designing efficient electrochemical catalysts for carbon dioxide (CO2R) reduction to valuable hydrocarbons and oxygenates. Herein, leveraging density functional theory calculations of the CO adsorption energy ΔE_CO on seventeen Cu terminations, we discover a strong linear correlation between ΔE_CO and the recently experimentally measured CO2R electrochemical currents (ACS Catal. 2022, 12, 11, 6578–6588). Examining the ab initio thermodynamics of the early critical intermediates CO*, COH*, and CHO*, we find that CO* → CHO* is the thermodynamically preferred step, and notably shows a volcano trend with the experimental currents where the maximum CO2R current corresponds to the moderate CHO* formation energy. Importantly, we show that increasing the step and kink density of the Cu termination not only enhances CO adsorption strength but also modulates the CO* → CHO* pathway, as respectively exemplified in the (941) and (741) facets. We also explain why (741) is exceptional with high CO2R activity as measured experimentally due to its relatively low activity toward the hydrogen evolution reaction compared with the other Cu surfaces. Beyond the general CO adsorption energy that only shows a linear trend with CO2R activity, we show that the reaction CO* → CHO* free energy is a descriptor that displays a volcano relationship with the overall CO2R activity on Cu facets.

machine learning↗
DOE OSTI2025

Cost-Effective Thermally Activated Building Systems to Support a Power Grid System With High Penetrations Of As-Available Renewable Energy Resources

With a goal to reduce the energy cost for building operation as well as to support renewable energy sources (RES) for the power grid reliability, quality, resilience, and dispatchability, this project developed and demonstrated a novel thermally activated building envelope system that integrates Phase Change Material (PCM)-based Thermal Energy Storage (TES) and the hydronic activation into the building envelope. The main objectives of this study are: 1) to design and laboraorty-test a novel thermally activated building envelope system that integrate PCM-based TES and the hydronic activation into building envelope, and 2) to exploit this new system to significantly reduce the energy cost of operating buildings and manage and support renewable energy sources (RES), e.g., solar and wind for the power grid reliability, quality, resilience, and dispatchability. To achieve the project objectives, a new low-cost, fire-retardant PCM packaging technology (CenoPCM) was developed specifically for high-volume building applications.

25 ENERGY STORAGE↗
DOE OSTI2024

Recommendations for an Applicant to Calculate Activity Data for Greenhouse Gases Estimates

In 2009, the U.S. Nuclear Regulatory Commission (NRC) directed the NRC staff to address climate change issues and consider the impacts of the emissions of carbon dioxide (CO 2 ) and other greenhouse gases (GHGs) in its environmental reviews for major licensing actions (NRC 2009b). To implement this direction from the Commission, the staff issued guidance in 2011 and updated guidance in 2014 in Attachment 1 to Interim Staff Guidance COL/ESP-ISG-026 (NRC 2011; NRC 2014). This guidance provides a simpler method than the method described in RG 4.2 Rev. 3, that an applicant can use to meet the plant parameter envelope (PPE) value from the Generic Environmental Impact Statement for Licensing of New Nuclear Reactors (NR GEIS). NRC staff estimated the 97-year lifecycle GHG emissions from a reference 1000 megawatt electrical (MWe) light-water reactor (LWR) for various activities associated with construction, operation (including uranium fuel cycle), and decommissioning of nuclear power plants and presented the results in Appendix H of the NR GEIS. Appendix H of the NR GEIS includes estimates of direct emissions from construction equipment and emergency diesel engines in a nuclear facility and indirect emissions from workforce vehicular traffic, fuel transportation and the uranium fuel cycle. The NR GEIS Section 3.3 extended the estimates in Appendix H for the installation of two 1000 MWe nuclear reactors on the same site. Scaling factors were used to extrapolate the GHG emissions of a reference 1000 MWe reactor to a two-unit nuclear reactor plant (each reactor unit generating 1000 MWe). GHG emission estimates for building, operation, decommissioning and safe storage (SAFSTOR) for a two-unit nuclear reactor plant would be based on the plant’s physical size, and therefore estimates for these source categories were assumed to be twice the value of the reference 1000 MWe reactor. However, GHG emissions from the fuel cycle (including fuel transportation) were scaled upward by a factor of 3, based on plant efficiencies greater than the 80 percent assumption in Appendix H. Table 1 below shows the PPE emissions for two 1000 MWe nuclear reactors as provided in NR GEIS. The total GHG emissions for two 1000 MWe reactors were calculated as 2,534,000 metric tons (MT) of CO 2 equivalent (CO 2 (e)) based on a 97 year GHG life cycle period. The GHG emissions lifetime of 97 years for a reference nuclear reactor includes a 7-year building phase, 40 years of operation, 10 years of active decommissioning, and 40 years of SAFSTOR operations (NRC 2024). Construction equipment and vehicular traffic from workers commute would contribute to the GHG emissions during a 7-year building phase. Uranium fuel cycle, vehicular traffic, fuel and waste transportation, and testing of standby diesel generators would contribute to GHG emissions during the 40-year operations phase. While NRC’s regulations allow up to 60 years of reactor facility decommissioning, Appendix H estimated that most of the GHGs would occur over an estimated 10-year period during which to the licensee would engage in significant demolition and earth-moving activities, as discussed in Supplement 1 to NUREG-0586 (NRC 2002). Vehicular traffic by the workforce during a 40-year SAFSTOR period would additionally contribute GHG emissions. The carbon footprint for a 40-year SAFSTOR period was separately analyzed from the decommissioning activities as provided in Table YYYY-2 of the staff issued guidance in 2011 (NRC 2011).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Report on the Atmospheric Temperature Changes and their Drivers (ATC) Activity 2025 Spring Meeting

The Atmospheric Temperature Change and their Drivers (ATC) Activity brings together experts interested in improving understanding of atmospheric temperature variability and trends and their representation in climate data records. ATC pursues this goal by fostering intercomparisons of atmospheric temperature datasets, providing and improving uncertainty information for climate data records, comparing observations with model simulations, assessing atmospheric temperature trends and their drivers, and documenting their efforts in review papers and assessment reports. The ATC activity convened at the Wegener Center for Climate and Global Change at the University of Graz in Graz, Austria over April 23 – 25. The purpose of the meeting was to provide updates on research and datasets related to atmospheric temperature change and variability, to identify areas that need further research, and to coordinate ongoing and future collaborations. Meeting themes included theoretical and simulated controls on atmospheric temperature, the development of new and improved atmospheric temperature datasets, and analysis of atmospheric temperature variability and trends. 18 activity members attended the meeting including 12 in-person attendees and 6 remote attendees. Four new early career activity members attended with support from APARC.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

The Catalytic Activity of TiO 2 Toward a Multicomponent Reaction Depends on its Morphology, Mechanoactivation and Presence of Visible Light

Aims: Test the hypothesis that the catalytic activity of TiO2 nanoparticles towards a liquidphase or mechanoactivated multicomponent reaction can be tuned by visible light and the shape of nanoparticles. Background: Catalytic multicomponent reactions have been proven to be excellent synthetic approaches to a series of biologically relevant compounds including 2-amino-4H-benzo[b]pyrans. However, the potential photocatalytic activity and structural diversity of nanostructured catalysts remained underutilized in the design of new catalytic systems. Objective: Harness the photocatalytic potential and diverse morphology of TiO2 particles as catalysts for the liquid phase and mechanoactivated multicomponent organic reactions. Results: Catalytic activity of TiO2 nanoparticles towards multicomponent synthesis of 2-amino-4Hbenzo[ b]pyrans is increased by visible light. The nanorod-shaped TiO2 nanoparticles have shown substantially higher catalytic activity towards mechanoactivated multicomponent synthesis of 2- amino-4H-benzo[b]pyrans than their spherically-shaped counterparts. Conclusion: : An efficient methodology for the synthesis of 2-amino-4H-benzo[b]pyrans under ambient light condition has been developed using TiO2 nanorods (high aspect ratio anatase nanocrystals) as photocatalyst. This simple method furnished the corresponding terahydrobenzopyrans in high yields via three component reaction of aldehyde, malononitrile, and dimidone under solvent free reaction conditions at room temperature. The reaction takes 8-10 min at room temperature under ambient light condition and the catalyst can be reused multiple times. Utilization of light and the nanorod morphology of the catalyst through mechanoactivation has been applied for the -first time to the synthetic technique of multicomponent reactions. The synthetic procedures for 2-amino-4Hbenzo[ b]pyrans have been improved.

Thirumeni, Subramanian↗