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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Mass Spectrometry Sample Submission Portal

Each step in the scientific process generates contextual information about the data that is important to consider when performing data integration, developing models of biological process, or training AI models. We will develop a flexible, template-driven tool that will log biological samples, capture metadata about those samples, and track the type(s) of analysis being performed by researchers providing samples for analysis by mass spectrometry.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Hydrogen underground storage for grid electricity storage: An optimization study on techno-economic analysis

Here, this study performs a techno-economic analysis of hydrogen underground storage systems for grid electricity storage, evaluating their economic viability at the plant scale using dynamic optimization. It explores the feasibility of various system configurations and revenue models in the context of volatile electricity prices and the necessity for multiple revenue streams. The hypothesis tested is that large-scale hydrogen storage, despite its low round-trip efficiency, can be economically viable with the right mix of revenue streams. This study uses scenario-based analysis to assess the impacts of different system configurations, including engaging in time-shifting arbitrage, ancillary service markets and blending hydrogen with natural gas. Results indicate potential annual net cash flows of up to $\$$1.5 million from ancillary services integration and $\$$5.2 million from natural gas blending, contingent on specific system sizes. The study concludes that hydrogen underground storage for grid electricity storage can be profitable, and emphasizes that proper system design and precise electricity price forecasting are crucial for optimizing system performance and economic returns. This research sets the stage for further investigations into the scalability of hydrogen storage systems and their broader implications for grid electricity storage and energy market dynamics.

25 ENERGY STORAGE↗
DOE OSTI2024

FENIX: An Open-Source Multiphysics Integrated Framework Enabling Collaborative Development of Plasma Facing Component Modeling Capabilities

Advanced modeling and simulation tools have a crucial role to play in accelerating fusion energy deployment as a sustainable power source. Multiphysics, high-fidelity computational tools can help understand, model, and quantify the complex interactions between materials performance, plasma and neutron exposure, and engineering processes. As a result, they accelerate the design, safety analysis, and performance evaluation of fusion systems. This webinar introduces the Fusion ENergy Integrated multiphys-X (FENIX) framework, an open-source multiphysics tool for plasma facing component modeling. FENIX leverages the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, which has been developed by the United States Department of Energy Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. FENIX couples various MOOSE capabilities such as heat transfer, thermomechanics, thermal hydraulics, electromagnetics, and plasma kinetics with the MOOSE-based applications Cardinal (neutronics) and TMAP8 (tritium transport). During the webinar, we will present FENIX and discuss how its modularity, openness, software quality assurance processes, and licensing approach supports effective collaborations, including public-private partnerships.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

A Bayesian Multi-fidelity Neural Network to Predict Nonlinear Frequency Backbone Curves

The use of structural mechanics models during the design process often leads to the development of models of varying fidelity. Often low-fidelity models are efficient to simulate but lack accuracy, while the high-fidelity counterparts are accurate with less efficiency. Here, this paper presents a multi-fidelity surrogate modeling approach that combines the accuracy of a high-fidelity finite element model with the efficiency of a low-fidelity model to train an even faster surrogate model that parameterizes the design space of interest. The objective of these models is to predict the nonlinear frequency backbone curves of the Tribomechadynamics Research Challenge benchmark structure which exhibits simultaneous nonlinearities from frictional contact and geometric nonlinearity. The surrogate model consists of an ensemble of neural networks that learn the mapping between low and high-fidelity data through nonlinear transformations. Bayesian neural networks are used to assess the surrogate model's uncertainty. Once trained, the multi-fidelity neural network is used to perform sensitivity analysis to assess the influence of the design parameters on the predicted backbone curves. Additionally, Bayesian calibration is performed to update the input parameter distributions to correlate the model parameters to the collection of experimentally measured backbone curves.

42 ENGINEERING↗
DOE OSTI2024

A retrospective review of von Neumann’s analysis of hidden variables in quantum mechanics

This article reviews the history of J. von Neumann’s analysis of hidden variables in quantum mechanics and the subsequent analysis by others. In his book The Mathematical Foundations of Quantum Mechanics , published in 1932, von Neumann performed an analysis of the consequences of introducing hidden parameters (hidden variables) into quantum mechanics. He arrived at two principal conclusions: first, hidden variables cannot be incorporated into the existing theory of quantum mechanics without major modifications, and second, if they did exist, the theory would have already failed in situations where it has been successfully applied. This analysis has been taken as an “incorrect proof” against the existence of hidden variables, possibly due to a mistranslation of the German word prufen . von Neumann’s so-called proof isn’t even wrong as such a proof does not exist, but it is an examination of the limitations imposed by internal consistency of the Hilbert space formulation of the theory. One of the earliest attempts to eliminate uncertainty, by D. Bohm, requires a major modification of quantum mechanics (observables are not represented by Hermitian operators), which supports von Neumann’s first principal conclusion. However, testing the Bohm theory requires constructing a physically impossible initial state. As such, the theory has no experimental consequences, so W. Pauli referred to it as an “uncashable check”. As there are no observable consequences, the Bohm theory is possibly a counterexample to von Neumann’s second conclusion that hidden variables in particular would have already led to a failure of the theory.

density matrix↗
DOE OSTI2025

Round Robin Measurements of Molten Salt Properties for LiF-NaF-KF (FLiNaK) and NaCl-KCl Mixtures

The development, operation, and regulation of nuclear reactors that utilize molten salts as fuel or as heat transfer media require knowledge of the thermal properties of the salt systems and quantification of the corresponding uncertainties. Knowledge of molten salt properties is also necessary for applications in material synthesis, processing, separations, solar thermal power generation, and energy storage. A round robin was conducted with national laboratory and university participants from twenty-one laboratories in five countries to compare property measurements, to better understand uncertainties, and to identify possible best practices. Two salt mixtures, each from a common batch, were distributed to participants for evaluation: equimolar NaCl-KCl and 45.0LiF-13.7NaF-41.3KF mol % (FLiNaK). Measurements were performed to determine the major constituent composition, oxygen content, density, thermal expansivity, melting point, and thermal conductivity. Error analysis was performed on each measurement for uncertainty quantification for each type of property that was explored. Finally, the resulting discussion of the methodologies used in this work is meant to lay the groundwork for the development of standard methods and reference materials for future high-temperature property measurements on halide melts.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Special Nuclear Material Hold-up Measurement

Facilities that process special nuclear material (SNM) generally have a variety of equipment, shielding, and nearby radiation sources, which can pose challenges when performing nondestructive analysis (NDA) within the facility, as shown in Figure 1. In this figure, the left image features two individuals performing a holdup measurement of a large duct at a posting, utilizing a detector probe attached to a yardstick to reduce some aspect of the measurement uncertainty. Note that the distance to the holdup within the pipe from the posting cannot be accounted for. The right image similarly features several individuals guiding a holdup measurement of a ducting pipe several meters overhead, by attaching a detector probe to a long handle and lining that up with a posting on the outside of the pipe. SNM processing begets SNM holdup, and this difficulty with accurate NDA can result in unaccounted accumulation of SNM holdup within a process or area. Normal SNM processing operations can accumulate holdup within filters, pumps, pipes, ducts, other equipment, and facility support systems, as demonstrated by Figure 2. It is important for deactivation and decommissioning (D&D) gloveboxes and their ancillary equipment, material accountability, criticality safety, facility operations, waste management, radiation safety, and security to accurately characterize the location, composition, and quantity of this holdup to minimize these associated risks and potential diversion pathways. Current NDA techniques for assay of holdup are expensive, time consuming, and have high uncertainty.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Application of Cyber-Informed Engineering for Protecting BESS

This white paper synthesizes an array of crucial grid services provided by BESS technology, assesses its architecture and communications, and presents a case study for analysis against the principles introduced by Cyber-Informed Engineering (CIE). Furthermore, in walking through the analysis, this paper presents a framework to evaluate risks and solutions when considering BESS components. Asset owners and buyers could perform this analysis to assess their BESS product implementations, alternative inverter-based resources (IBR), and energy management systems (EMS). Battery systems fulfill various roles contingent on the unique market demands and the specific challenges presented by regional grid infrastructures. These roles also vary due to the differing utility models for ownership and operation, which are adapted to meet regional and local capabilities and requirements. Concerns have been raised regarding the potential for adversaries to exploit knowledge of battery operational patterns to orchestrate decisive attacks. However, the security of operational data for these systems may not be the primary vulnerability, as much of this information is already well-understood within the community. Applying a modest degree of subject matter expertise can often yield valuable predictions regarding how a battery will respond under certain conditions, such as grid emergencies, high or low-temperature days, Public Safety Power Shutoff (PSPS) events, and outages. The operational characteristics of batteries are well-documented, and their capabilities, including the risks associated with misoperation and the resulting consequences, are published and understood within the industry. CIE practices represent the next step in gaining functional assurance and providing an acceptable level of risk, regardless of whether a battery vendor can support a trusted and validated supply chain. While this issue has exacerbated supply chain challenges, it is not an isolated condition. This foreign supply route is the primary source of BESS for the U.S. market. Significant efforts are underway through the Bipartisan Infrastructure Law (BIL) to change that. Still, strategic short-term operational mitigations are needed to ensure the security of our operational technology (OT) systems, which are enhanced by instilling trust and are separate from vendors implementing CIE principles.

25 ENERGY STORAGE↗
DOE OSTI2024

Off-Design Load Analysis of sCO2 Bottoming Cycle for a Natural Gas Combined Cycle Power Plant with Carbon Capture

As an alternative to a steam cycle, a supercritical carbon dioxide (sCO2) power cycle can be considered. Able et. al performed an analysis of an sCO2 cycle in a 2x2-1 configuration; however, this study did not include carbon capture. Previous studies assumed an H-Frame turbine and added a solvent based 95% carbon capture system and performed a levelized cost of electricity (LCOE) optimization for the plant. Their results suggest a LCOE slightly better than when using a steam cycle. In the study, steam is still generated in the heat recovery sections for the solvent regeneration in the carbon capture stripper reboiler. H-Frame gas turbines are also assumed. This work starts with the optimal design from the mentioned work to analyze the off-design performance of the power plant from 100% down to 50% load. The main operational findings and plant-efficiency for off-load conditions while maintaining the target CO2 capture rate are presented. H-Frame gas turbine off-design performance and exhaust conditions to the heat recovery section are obtained from commercial software, Thermoflow®. The CO2 turbomachinery, heat exchangers and other unit operations are sized and implemented in an Aspen Plus® model. Using the gas turbine exhaust conditions as input, the sCO2 cycle is optimized by adjusting stream split ratios, sCO2 circulation flowrate and compressor speed for maximum efficiency. This is done while keeping the target 95% CO2 capture.

Chinen, Anderson Soares↗
DOE OSTI2025

Experimental and computational evaluation of alpha particle production from laser-driven proton–boron nuclear reaction in hole-boring scheme

The majority of studies on laser-driven proton–boron nuclear reaction is based on the measurement of α-particles with solid-state nuclear tracks detector (Cr39). However, Cr39's interpretation is difficult due to the presence of several other accelerated particles which can bias the analysis. Furthermore, in some laser irradiation geometries, cross-checking measurements are almost impossible. In this case, numerical simulations can play a very important role in supporting the experimental analysis. In our work, we exploited different laser irradiation schemes (pitcher–catcher and direct irradiation) during the same experimental campaign, and we performed numerical analysis, allowing to obtain conclusive results on laser-driven proton–boron reactions. A direct comparison of the two laser irradiation schemes, using the same laser parameters is presented.

Huault, M. (ORCID:0000000186999166)↗
DOE OSTI2024

Component innovations for lower cost mechanical vapor compression

Despite significant capital and operating costs, mechanical vapor compression (MVC) remains the preferred technology for challenging brine concentration applications. Here, this work seeks to assess the dependence of MVC costs on feedwater salinity and desired water recovery and to quantify the value of improved component performance or reduced component costs for reducing the levelized cost of water (LCOW) of MVC. We built a cost optimization model coupling thermophysical, heat and mass transfer, and technoeconomic models to optimize and identify low cost MVC system designs as a function of feedwater salinity and water recovery. The LCOW ranges over 3.6 to 6.1 $\$$/m 3 for seawater feed salinities of 25–150 g/kg and water recoveries of 40–80 %. We then perform sensitivity analysis on parameter inputs to isolate irreducible costs and determine high value component innovation targets. The LCOW was most sensitive to evaporator material costs and performance, including the overall heat transfer coefficient in the evaporator. Process and material innovations such as polymer-composite evaporator tubes that reduce evaporator costs by 25 % without reducing heat transfer performance by more than 10 % would result in MVC cost reductions of 8 %.

42 ENGINEERING↗
DOE OSTI2026

Assess The Water Resistance And Thermal Performance Of Pre-flashing Methods When Adding Continuous Insulation During Re-siding (AIRS)

Retrofitting existing buildings by adding continuous insulation during re-siding projects has become a popular method for enhancing energy efficiency, especially given the aging building stock and stricter energy codes. When properly integrated with existing window systems, continuous insulation can significantly improve thermal performance, but it also presents challenges related to water resistance and building envelope integrity. Research indicates that the interface between windows and wall assemblies is critical as improper installation or sealing can lead to water intrusion, materials deterioration, and energy loss. Moreover, studies show that fully integrating the windows with the insulation layer can reduce window heat loss by up to 40%, emphasizing the importance of optimizing window placement and sealing during retrofitting to ensure both energy efficiency and structural performance. In this study, we conducted experimental tests to evaluate the water penetration and thermal performance of two window types: an aluminum window with a 2-inch installation fin and a wood window, representing typical mid-20th century designs. Using the Heat, Air, and Humidity (HAM) chamber at Oak Ridge National Laboratory (ORNL), we assessed bulk water penetration and performed COMSOL analysis for thermal flux and examined the effectiveness of different pre-flashing methods, i.e., standard self-adhered flashing tape and high-performance flashing tape with low-expansion foam, to enhance water resistance. The results indicate that applying proper flashing techniques and moisture management strategies can mitigate these risks, improving the overall performance and durability of retrofitted buildings. Additionally, proper sealing during retrofitting is essential, as improper installation can lead to moisture issues that compromise both energy efficiency and structural integrity.

Shen, Zhenglai [ORNL]↗
DOE OSTI2025

Role of perturbed parallel magnetic field effects in predicting turbulent transport in NSTX

This study presents analysis of gyrokinetic simulations on the National Spherical Torus Experiment (NSTX) to investigate the effects of electromagnetic fields on plasma turbulence and transport. The simulations, performed with varying levels of fidelity using the gyrokinetic CGYRO code, include electrostatic (ES), single-field electromagnetic (EM1), and two-field electromagnetic (EM2) models. A detailed comparison across the simulation database reveals that electromagnetic effects increase both predicted growth rates and quasilinear fluxes, with EM2 simulations producing stronger turbulence than ES and EM1 cases. Quasilinear modeling using QLGYRO demonstrates that while the perturbed parallel magnetic field (δB ∥ ) does not drastically affect the total flux at experimental gradients, it leads to a shift in the dominant instability, altering mode structures from microtearing to kinetic ballooning modes (KBMs). The proximity of the plasma profiles to the KBM threshold is explored, with the experimental conditions being near the onset of KBM-driven transport. The KBM, with its large growth rates, is identified as a potential driver of electron temperature flattening, as it can rapidly transport heat across flux surfaces. Performing stability analysis shows core-localized unstable a low- mode that could contribute to the flattening at the early times of the discharge. TGYRO predictive modeling, incorporating both TGLF and QLGYRO, indicates that the inclusion of δB ∥ significantly improves the accuracy of temperature profile predictions in NSTX high-beta plasmas, although challenges remain in modeling the sharp flux discontinuities caused by KBM-driven instabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Report on the "Symposium on Advancements in Simulating Neutron Scattering Instruments and Experiments"

An international group of researchers gathered for the “Symposium on Advancements in Simulating Neutron Scattering Instruments and Experiments” at Oak Ridge National Laboratory (ORNL) on October 29- 30, 2024. The symposium highlighted state-of-the-art advancements in neutron scattering instrument simulations and the development of digital twins for scattering instruments. This document summarizes the recurring themes from the 19 talks and discussions. A key focus was on the role of neutronics simulations in the design, analysis, and performance optimization of neutron instruments. Presentations featured the most widely used software packages, such as McStas, McVine, Vitess, and MCNP. Another major theme addressed the analysis and interpretation of experimental neutron data, where materials models and simulations play a critical role. Talks on relevant software tools, including NCrystal, OCLimax, and Paradyse, were delivered by their respective developers. During the symposium, both talks and breakout sessions explored strategies to enhance the interplay between neutronics simulations and materials models. A key question emerged: How can we develop a RealTime Explainable Digital Twin of a neutron scattering experiment? Discussions include the idea that the Digital Twin concept has implications for instrument control and testing. Through this symposium, we gained valuable insights into the challenges and requirements for developing a Real-Time Explainable Digital Twin of a neutron scattering experiment. The discussions and presentations paved the way for future innovations in this rapidly advancing field.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Oklo Sponsored Testing using PELICAN: System, Subchannel, and High-Fidelity Software Validation (Final CRADA Report)

Argonne National Laboratory (the Contractor), located in Lemont IL, and Oklo, Inc., (the Participant), headquartered in Santa Clara, CA, propose to enter into a Cooperative Research and Development Agreement (CRADA) to perform a gap analysis of thermal hydraulic data, perform prototypical fuel assembly pressure drop and cavitation model validation, generate the experimental data as well as the corresponding uncertainties for this matrix and, finally, develop the validation models with the Argonne system level code SAS4A/SASSYS-1, the Argonne subchannel analysis code DASSH, the Argonne high fidelity code Nek5000, and/or the Idaho National Laboratory code Pronghorn Subchannel. The work outlined below will significantly improve the experimental and validation database currently available for liquid metal fast reactors, thus making it a viable part of a comprehensive reactor design and licensing suite to be used by the participant.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Herbaceous Feedstock 2022 State of Technology Report

The U.S. Department of Energy promotes production of advanced liquid transportation fuels from lignocellulosic biomass by funding fundamental and applied research that advances the state of technology (SOT). As part of its involvement in this mission, Idaho National Laboratory completes an annual SOT report for nth-plant and 1st-plant herbaceous biomass feedstock logistics. The purpose of the SOT is to provide the status of feedstock supply system technology development for herbaceous biomass to biofuels relative to technical targets and cost goals from specific design cases, based on data and experimental results. Although conventional feedstock supply systems form the backbone of the emerging biofuels industry, they have limitations that restrict widespread implementation on a national scale. To meet the demands of the future industry, the feedstock supply system must shift from the conventional system to what has been termed “advanced” supply systems. In advanced designs, a distributed network of aggregation and processing centers, termed “depots,” are employed near the points of biomass production (i.e., the field or forest) to reduce feedstock variability and produce feedstocks of a uniform format, moving toward biomass commoditization. The 2022 Herbaceous SOT is part of a vision of achieving an implemented advanced feedstock supply system, which produces a stable, tradable commodity at the decentralized distributed depot. It utilizes feedstock fractionation by incorporating technologies that can separate the biomass into its anatomical fractions (leaves, husks, stems and cobs) to reduce impurities and produce fractions that satisfy downstream quality considerations. By using a series of air classification steps, this strategy can reduce the extrinsic ash in corn stover and produce enriched tissue fractions that can be blended to a conversion specification or converted individually in optimized biochemical conversion campaigns. Additionally, a majority of the leaves (which do not meet the quality specification) are separated out early and can be supplied to alternate markets. The 2022 Herbaceous SOT incorporates an advanced biomass fractionation and processing system to produce pellets enriched tissues from three-pass corn stover. The resulting enriched pellets are delivered to the biorefinery individually where they can be blended to a specification or converted in campaigns where the conditions are optimized for each tissue. Unused fractions can be sent to a a midstream market or to a different conversion process that is better suited to their properties to offset the cost of the delivered feedstock. The main benefits from the proposed system can be summarized as: (1) $6.86/dry ton (2016$) lower cost for the air classification due to elimination of the requirement to discard the high ash lights fraction; (2) $1.56/dry ton lower delivered cost by selling the unsuitable leaf fraction into the feed market as a midstream co-product (assuming a selling price that is 11% higher than their cost of production); (3) 0.98% increase in carbohydrate content (from 60.16% to 61.14%); and (4) 0.97% decrease in ash content (from 6.00% to 5.03%) compared to the 2021 Herbaceous SOT. Overall, the 2022 nth-plant Herbaceous SOT predicts a modeled delivered feedstock cost of $78.64/dry ton (2016$) if it is assumed that the enriched leaf fraction is sold at its production cost; this is a slight increase of $0.43/dry ton increase from the 2021 Herbaceous SOT nth-Supply case cost. The increased cost derived from a $0.38/dry ton increase in transportation and handling cost to procure more biomass (to replace the enriched leaf fraction that was not delivered to the biorefinery. The total preprocessing cost was $0.27/dry ton higher than the 2021 result because of updates to energy consumption, purchasing price and dry matter loss data for the rotary shear ($3.00/dry ton increase) and the pelleting mill ($4.52/dry ton increase). The data utilized were generated in pilot-scale tests in the Biomass Feedstock National User Facility (BFNUF) at INL and at Forest Concepts, including tests for rotary shear and pelleting of the air classified fractions. A greenhouse gas emissions analysis was performed by Argonne National Laboratory using the most up to date version of the Greenhouse Gases, Regulated Emissions, and Energy use in Transportation model (GREET®). The analysis showed an increase of 17.34 kg CO2e/dry ton from the 2021 SOT (67.71 kg CO2e/ton in the 2021 Herbaceous SOT to 85.05 kg CO2e/ton in the 2022 Herbaceous SOT). The net increase is primarily attributed to increased energy consumption in pelleting mill.

09 BIOMASS FUELS↗
DOE OSTI2025

Analysis of Σ* via isospin selective reaction 𝐾 𝐿 ⁢𝑝 →𝜋 + ⁢Σ 0

The isospin-selective reaction 𝐾 𝐿 ⁢𝑝 →𝜋 + ⁢Σ 0 provides a clean probe for investigating 𝐼 =1 Σ* resonances. In this work, we perform an analysis of this reaction using an effective Lagrangian approach for the first time, incorporating the well-established Σ⁡(1189)⁢1/2 + , Σ⁡(1385)⁢3/2 + , Σ⁡(1670)⁢3/2 − , and Σ⁡(1775)⁢5/2 − states, while also exploring contributions from other unestablished states. By fitting the available differential cross-section and recoil polarization data, adhering to partial-wave phase conventions same as the Particle Data Group, we find that besides the established resonances, contributions from Σ⁡(1660)⁢1/2 + , Σ⁡(1580)⁢3/2 − , and a Σ*⁢(1/2 − ) improve the description. Notably, a Σ*⁢(1/2 − ) resonance with mass around 1.54 GeV, consistent with Σ⁡(1620)⁢1/2 − , is found to be essential for describing the data in this channel, a stronger indication than found in previous analyses focusing on 𝜋⁢Λ final states. While providing complementary support for Σ⁡(1660)⁢1/2 + and Σ⁡(1580)⁢3/2 − , our results highlight the importance of the Σ⁡(1620)⁢1/2 − region in 𝐾 𝐿 ⁢𝑝 →𝜋 + ⁢Σ 0 . Future high-precision measurements are needed to solidify these findings and further constrain the Σ* spectrum.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Measurement and analysis of the Doppler broadened energy spectra of gamma radiation originating from the annihilation of positrons incident on clean and adsorbate-covered surfaces

We present measurements and theoretical modeling demonstrating the capability of coincidence Doppler broadened (CDB) annihilation gamma spectroscopy to provide element-specific information from the topmost atomic layer of surfaces. Our measurements show that the energy spectra of Doppler-shifted annihilation gamma photons emitted following the annihilation of positrons from the topmost atomic layers of clean and adsorbate covered surfaces of gold (Au), silver (Ag) and copper (Cu) differ significantly. The shape of the Doppler-broadened gamma spectrum, as analyzed using ratio curves, indicates that the elemental composition of the surface can still be identified despite contributions from positronium annihilation and a significant reduction in core electron annihilation. We estimate the chemical composition of the various probed surfaces by modeling the ratios of the measured Doppler spectra with respect to the Doppler spectra from a clean Cu surface using a linear combination of calculated ratio curves. The fitting of the experimental ratio curves was used to obtain an estimate of the elemental composition of Cu surfaces with sulfur segregation, oxygen adsorption, a thin film of Selenium (Se), and a single layer of graphene (SLG). A similar analysis was performed on the Ag surface with environmental adsorbates, the same surface after argon ion sputtering, as well as a sputter cleaned Au surface. The surface compositions obtained from the analysis of the CDB data were compared to the compositions obtained using positron annihilation induced Auger electron spectroscopy (PAES). Our results show that CDB can detect, identify, and quantify, sub-monolayer adsorbates and a single atomic layer deposited on metal substrates.

Lotfimarangloo, Sima [Univ. of Texas, Arlington, T↗