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DOE OSTI2025

Materials laboratories of the future for alloys, amorphous, and composite materials

In alignment with the Materials Genome Initiative and as the product of a workshop sponsored by the US National Science Foundation, we define a vision for materials laboratories of the future in alloys, amorphous materials, and composite materials; chart a roadmap for realizing this vision; identify technical bottlenecks and barriers to access; and propose pathways to equitable and democratic access to integrated toolsets in a manner that addresses urgent societal needs, accelerates technological innovation, and enhances manufacturing competitiveness. Spanning three important materials classes, this article summarizes the areas of alignment and unifying themes, distinctive needs of different materials research communities, key science drivers that cannot be accomplished within the capabilities of current materials laboratories, and open questions that need further community input. Here, we provide a broader context for the workshop, synopsize the salient findings, outline a shared vision for democratizing access and accelerating materials discovery, highlight some case studies across the three different materials classes, and identify significant issues that need further discussion.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Elemental composition of organic aerosol: The gap between ambient and laboratory measurements

Abstract A large data set including surface, aircraft, and laboratory observations of the atomic oxygen‐to‐carbon (O:C) and hydrogen‐to‐carbon (H:C) ratios of organic aerosol (OA) is synthesized and corrected using a recently reported method. The whole data set indicates a wide range of OA oxidation and a trajectory in the Van Krevelen diagram, characterized by a slope of −0.6, with variation across campaigns. We show that laboratory OA including both source and aged types explains some of the key differences in OA observed across different environments. However, the laboratory data typically fall below the mean line defined by ambient observations, and little laboratory data extend to the highest O:C ratios commonly observed in remote conditions. OA having both high O:C and high H:C are required to bridge the gaps. Aqueous‐phase oxidation may produce such OA, but experiments under realistic ambient conditions are needed to constrain the relative importance of this pathway.

Chen, Qi↗

DOE OSTI2022

Experimental validation of multiphysics model simulations of the thermal response of a cement clinker rotary kiln at laboratory scale

Abstract An increasing demand for buildings, transportation systems and civil infrastructure development has driven expansion of cement consumption world‐wide, producing a significant increase in related global energy demand. With approximately 7% of the world‐wide industrial energy consumption (10.7 exajoules [EJ]), the cement industry is the third most energy intensive industrial processes and a key component for concrete, the most consumed composite material in the global construction industry. In cement manufacturing, the cement kiln accounts for most of the energy consumption in the production process. As the heart of a cement plant, the cement kiln is where the kiln feed primarily containing calcium oxide (CaO), silica (SiO 2 ), alumina (Al 2 O 3 ), and iron (Fe 2 O 3 ) are thermally and chemically transformed into clinker minerals. The presented work developed a multiphysics model, designed and built a laboratory‐scale rotary cement clinker kiln, and produced cement clinker at laboratory‐scale. The model was developed to study the interaction between the various thermal, fluid dynamic and chemical interactions involved in the sintering process used to form Portland cement clinker in an effort to reduce energy use. The analytical model was validated through experimental testing using a unique laboratory‐scale rotary cement kiln developed during the investigation. Also demonstrated was the feasibility of producing clinker at laboratory scale. This modeling and lab scale tests were designed to better understand the clinker sintering process so that operational and quality decisions can be made to optimize energy consumption without compromising cement clinker quality. The computational fluid dynamics modeling was developed in COMSOL Multiphysics 6.0. The characteristics of the combustion fluid flow, concentration of species, temperature and heat transfer were studied for a turbulent flow of methane (CH 4 ) gas and oxygen (O 2 ). Theory suggests that heat transfer impacts the cement production process but the multiphysics model more accurately describes the convection, conduction, and radiant heat transfer in the kilning process and thus allows for a better understanding of the energy exchange driving the chemical reactions that produce Portland cement. Clinker minerals were formed because of appropriate burning conditions implemented during experimental model validation.

Tabares, Juan David↗

DOE OSTI2015

On the mobilization of metals by CO 2 leakage into shallow aquifers: exploring release mechanisms by modeling field and laboratory experiments

The dissolution of CO 2 in water leads to a pH decrease and a carbonate content increase in affected groundwater, which in turn can drive the mobilization of metals from sediments. The mechanisms of metal release postulated in various field and laboratory studies often differ. Drawing primarily on previously published results, we examine contrasting metal mobilization behaviors at two field tests and in one laboratory study, to investigate whether the same mechanisms could explain metal releases in these different experiments. Numerical modeling of the two field tests reveals that fast Ca-driven cation exchange (from calcite dissolution) can explain the release of most major and trace metal cations at both sites, and their parallel concentration trends. The dissolution of other minerals reacting more slowly (superimposed on cation exchange) also contributes to metal release over longer time frames, but can be masked by fast ambient groundwater velocities. Therefore, the magnitude and extent of mobilization depends not only on metal-mineral associations and sediment pH buffering characteristics, but also on groundwater flow rates, thus on the residence time of CO 2 -impacted groundwater relative to the rates of metal-release reactions. Sequential leaching laboratory tests modeled using the same metal-release concept as postulated from field experiments show that both field and laboratory data can be explained by the same processes. Finally, the reversibility of metal release upon CO 2 degassing by de-pressurization is also explored using simple geochemical models, and shows that the sequestration of metals by resorption and re-precipitation upon CO 2 exsolution is quite plausible and may warrant further attention.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Pollen structure visualization using high-resolution laboratory-based hard X-ray tomography

A laboratory-based X-ray microscope is used to investigate the 3D structure of unstained whole pollen grains. For the first time, high-resolution laboratory-based hard X-ray microscopy is applied to study pollen grains. Based on the efficient acquisition of statistically relevant information-rich images using Zernike phase contrast, both surface- and internal structures of pine pollen - including exine, intine and cellular structures - are clearly visualized. The specific volumes of these structures are calculated from the tomographic data. The systematic three-dimensional study of pollen grains provides morphological and structural information about taxonomic characters that are essential in palynology. Such studies have a direct impact on disciplines such as forestry, agriculture, horticulture, plant breeding and biodiversity. - Highlights: • The unstained whole pine pollen was visualized by high-resolution laboratory-based HXRM for the first time. • The comparison study of pollen grains by LM, SEM and high-resolution laboratory-based HXRM. • Phase contrast imaging provides significantly higher contrast of the raw images compared to absorption contrast imaging. • Surface and internal structure of the pine pollen including exine, intine and cellular structures are clearly visualized. • 3D volume data of unstained whole pollen grains are acquired and the specific volumes of the different layer are calculated.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

Strategy of the Joint Center for Energy Storage Research to Influence Laboratory Safety Among its Funded Researchers

In 2011, a team at Argonne National Laboratory (Argonne) was preparing a proposal for a Department of Energy (DOE)-funded project that called for the creation of an “Energy Innovation Hub.” The proposal team, well engrained in Argonne's and DOE's safety culture, was also aware of the high profile university laboratory accidents from 2009 and 2010 and many other high profile research laboratory safety incidents. They knew they wanted to influence safety by setting an expectation of safe science across the Hub they proposed. In 2012, the DOE awarded Argonne the contract to create the Hub, now known as the Joint Center for Energy Research (JCESR). JCESR promptly hired and appointed a Safety Lead charged with fulfilling JCESR's vision of influencing safety across their newly created Hub. This article discusses JCESR's implementation of a strategy to influence laboratory safety among its funded researchers.

Influencing Safety↗

DOE OSTI2019

Optical Properties of Laboratory & Ambient Biomass Burning Aerosols: Elucidating Black, Brown, & Organic Carbon Components & Mixing Regimes

Biomass burning (BB) is an important global source of aerosol and trace gases that degrade air quality, decrease visibility, and impact climate and human health. Refractory black carbon (rBC), brown carbon (BrC), and organic aerosol (OA) are major components of BB emissions. BB aerosol composition is highly variable at the source and depends on fuel composition and combustion phase. Atmospheric aging alters fresh BB aerosol through processes that are complex and dynamic. To better understand the variability in optical properties, we report fresh aerosol laboratory measurements from burning southwestern U.S. fuels and compare them to aged ambient BB aerosol from wildfires over a range of atmospheric timescales. Our BB aerosol analysis uses the relationship between the absorption Ångström exponent (AAE) and single scattering albedo (SSA) to identify rBC, BrC, and OA–dominated regimes that are defined using Mie theory. This model framework is used to interpret the large variability in optical properties measured in laboratory burns. In contrast, we find the observed AAE–SSA relationship for ambient BB aerosol to be less variable and more clustered together with increased atmospheric aging. This transition from fresh to aged behavior is attributed to the homogenization of the BB aerosol from mixing and aging over several hours. As a result, BB aerosol in ambient fire plumes that have aged for several hours exhibit larger SSAs than laboratory flaming burns. We conclude that BrC/OC mixtures play a larger role than rBC in the positive climate forcing of BB aerosol than what would be projected from laboratory results.

09 BIOMASS FUELS↗

DOE OSTI2016

Scaled laboratory experiments explain the kink behaviour of the Crab Nebula jet

X-ray images from the Chandra X-ray Observatory show that the South-East jet in the Crab nebula changes direction every few years. This remarkable phenomenon is also observed in jets associated with pulsar wind nebulae and other astrophysical objects, and therefore is a fundamental feature of astrophysical jet evolution that needs to be understood. Theoretical modeling and numerical simulations have suggested that this phenomenon may be a consequence of magnetic fields (B) and current-driven magnetohydrodynamic (MHD) instabilities taking place in the jet, but until now there has been no verification of this process in a controlled laboratory environment. Here we report the first such experiments, using scaled laboratory plasma jets generated by high-power lasers to model the Crab jet and monoenergetic-proton radiography to provide direct visualization and measurement of magnetic fields and their behavior. The toroidal magnetic field embedded in the supersonic jet triggered plasma instabilities and resulted in considerable deflections throughout the jet propagation, mimicking the kinks in the Crab jet. We also demonstrated that these kinks are stabilized by high jet velocity, consistent with the observation that instabilities alter the jet orientation but do not disrupt the overall jet structure. We successfully modeled these laboratory experiments with a validated three-dimensional (3D) numerical simulation, which in conjunction with the experiments provide compelling evidence that we have an accurate model of the most important physics of magnetic fields and MHD instabilities in the observed, kinked jet in the Crab nebula. The experiments initiate a novel approach in the laboratory for visualizing fields and instabilities associated with jets observed in various astrophysical objects, ranging from stellar to extragalactic systems. We expect that future work along this line will have important impact on the study and understanding of such fundamental astrophysical phenomena.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Foreshock properties illuminate nucleation processes of slow and fast laboratory earthquakes

Understanding the connection between seismic activity and the earthquake nucleation process is a fundamental goal in earthquake seismology with important implications for earthquake early warning systems and forecasting. We use high-resolution acoustic emission (AE) waveform measurements from laboratory stick-slip experiments that span a spectrum of slow to fast slip rates to probe spatiotemporal properties of laboratory foreshocks and nucleation processes. We measure waveform similarity and pairwise differential travel-times (DTT) between AEs throughout the seismic cycle. AEs broadcasted prior to slow labquakes have small DTT and high waveform similarity relative to fast labquakes. We show that during slow stick-slip, the fault never fully locks, and waveform similarity and pairwise differential travel times do not evolve throughout the seismic cycle. In contrast, fast laboratory earthquakes are preceded by a rapid increase in waveform similarity late in the seismic cycle and a reduction in differential travel times, indicating that AEs begin to coalesce as the fault slip velocity increases leading up to failure. These observations point to key differences in the nucleation process of slow and fast labquakes and suggest that the spatiotemporal evolution of laboratory foreshocks is linked to fault slip velocity.

58 GEOSCIENCES↗

DOE OSTI2013

Low-level measuring techniques for neutrons: High accuracy neutron source strength determination and fluence rate measurement at an underground laboratory

We report on measuring techniques for neutrons that have been developed at the Physikalisch-Technische Bundesanstalt (PTB), the German National Metrology Institute. PTB has characterized radioactive sources used in the BOREXINO and XENON100 experiments. For the BOREXINO experiment, a {sup 228}Th gamma radiation source was required which would not emit more than 10 neutrons per second. The determination of the neutron emission rate of this specially designed {sup 228}Th source was challenging due to the low neutron emission rate and because the ratio of neutron to gamma radiation was expected to be extremely low, of the order of 10{sup −6}. For the XENON100 detector, PTB carried out a high accuracy measurement of the neutron emission rate of an AmBe source. PTB has also done measurements in underground laboratories. A two month measurement campaign with a set of {sup 3}He-filled proportional counters was carried out in PTB's former UDO underground laboratory at the Asse salt mine. The aim of the campaign was to determine the intrinsic background of detectors, which is needed for the analysis of data taken in lowintensity neutron fields. At a later time, PTB did a preliminary measurement of the neutron fluence rate at the underground laboratory Felsenkeller operated by VKTA. By taking into account data from UDO, Felsenkeller, and detector calibrations made at the PTB facility, it was possible to estimate the neutron fluence rate at the Felsenkeller underground laboratory.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2013

Numerical and laboratory simulations of auroral acceleration

The existence of parallel electric fields is an essential ingredient of auroral physics, leading to the acceleration of particles that give rise to the auroral displays. An auroral flux tube is modelled using electrostatic Vlasov simulations, and the results are compared to simulations of a proposed laboratory device that is meant for studies of the plasma physical processes that occur on auroral field lines. The hot magnetospheric plasma is represented by a gas discharge plasma source in the laboratory device, and the cold plasma mimicking the ionospheric plasma is generated by a Q-machine source. In both systems, double layers form with plasma density gradients concentrated on their high potential sides. The systems differ regarding the properties of ion acoustic waves that are heavily damped in the magnetosphere, where the ion population is hot, but weakly damped in the laboratory, where the discharge ions are cold. Ion waves are excited by the ion beam that is created by acceleration in the double layer in both systems. The efficiency of this beam-plasma interaction depends on the acceleration voltage. For voltages where the interaction is less efficient, the laboratory experiment is more space-like.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Submillimeter laboratory identification of CH{sup +} and CH{sub 2}D{sup +}

Laboratory identification of two basic and important interstellar molecular ions is presented. The J = 1 - 0 rotational transition of {sup 12}CH{sup +} together with those of {sup 13}CH{sup +} and {sup 12}CD{sup +} was observed in the laboratory. The newly obtained frequencies were found to be different from those reported previously. Various experimental evidences firmly support the new measurements. In addition, the Zeeman effect and the spin-rotation hyperfine interaction enforce the laboratory identification with no ambiguity. Rotational lines of CH{sub 2}D{sup +} were observed in the submillimeter-wave region. This laboratory observation is consistent with a recent tentative identification of CH{sub 2}D{sup +} toward Ori IRc2.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2016

Laboratory study of low- β forces in arched, line-tied magnetic flux ropes

Here, the loss-of-equilibrium is a solar eruption mechanism whereby a sudden breakdown of the magnetohydrodynamic force balance in the Sun's corona ejects a massive burst of particles and energy into the heliosphere. Predicting a loss-of-equilibrium, which has more recently been formulated as the torus instability, relies on a detailed understanding of the various forces that hold the pre-eruption magnetic flux rope in equilibrium. Traditionally, idealized analytical force expressions are used to derive simplified eruption criteria that can be compared to solar observations and modeling. What is missing, however, is a validation that these idealized analytical force expressions can be applied to the line-tied, low-aspect-ratio conditions of the corona. In this paper, we address this shortcoming by using a laboratory experiment to study the forces that act on long-lived, arched, line-tied magnetic flux ropes. Three key force terms are evaluated over a wide range of experimental conditions: (1) the upward hoop force; (2) the downward strapping force; and (3) the downward toroidal field tension force. First, the laboratory force measurements show that, on average, the three aforementioned force terms cancel to produce a balanced line-tied equilibrium. This finding validates the laboratory force measurement techniques developed here, which were recently used to identify a dynamic toroidal field tension force that can prevent flux rope eruption. The verification of magnetic force balance also confirms the low-beta assumption that the plasma thermal pressure is negligible in these experiments. Next, the measured force terms are directly compared to corresponding analytical expressions. While the measured and analytical forces are found to be well correlated, the low-aspect-ratio, line-tied conditions in the experiment are found to both reduce the measured hoop force and increase the measured tension force with respect to analytical expectations. These two co-directed effects combine to generate laboratory flux rope equilibria at lower altitudes than are predicted analytically. Such considerations are expected to modify the loss-of-equilibrium eruption criteria for analogous flux ropes in the solar corona.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Hybrid simulation of Alfvén wave parametric decay instability in a laboratory relevant plasma

Large-amplitude Alfvén waves are subject to parametric decays, which can have important consequences in space, astrophysical, and fusion plasmas. Although the Alfvén wave parametric decay instability (PDI) was predicted decades ago, observational evidence is limited, stimulating considerable interest in laboratory demonstration of the instability and associated numerical modeling. Here, we report an important step toward direct hybrid simulation of the Alfvén wave PDI in a laboratory plasma, using antenna-like wave injection of a circularly polarized wave and realistic wave-plasma parameters. Considering collisionless damping, we identify the threshold Alfvén wave amplitudes and frequencies required for triggering the instability. These threshold behaviors are corroborated by simple theoretical analysis, considering the balance between PDI growth and ion Landau damping and PDI development in a bounded plasma. Other effects not included in the present model such as finite transverse wave scale and ion–neutral collisions are briefly discussed. These hybrid simulations promise to be a useful tool for investigating laboratory Alfvén wave dynamics and may provide guidance for future laboratory demonstration of the PDI process.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Laboratory and field validation of the performance benefits and costs of thin triple-pane windows in residential buildings

The adoption of high-performance triple-pane windows that significantly reduce heat transfer has been slow, in part because they are thicker, heavier, and more costly than double-pane windows. One path to increase adoption of triple-pane windows is to replace the conventional double-glazing insulated glass unit (IGU) with a modified triple-glazing design that uses a very thin central pane of glass. This thinner triple-pane IGU can then be “dropped in” to the double-pane IGU pocket without requiring major modifications to frame design. The Department of Energy sponsored laboratory and field testing of thin triple-pane windows by Pacific Northwest National Laboratory. This article presents findings from both the Lab Homes study and subsequent field demonstrations carried out over a 3-year period (2020–2023). The laboratory and field studies demonstrated the manufacturing and distribution feasibility of thin triple-pane windows, successfully installed at multiple sites, using double-pane frames from four different manufacturers and thin triple-pane IGUs from two different manufacturers. Compared to a home with double-pane, clear-glass windows, testing demonstrated average whole-home heating energy savings of 12% and cooling energy savings of 27% for thin triple-pane windows. Improvements in comfort, sound insulation, and condensation potential were noted in both laboratory and field studies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2014

X-ray and EUV spectroscopy of various astrophysical and laboratory plasmas: Collisional, photoionization and charge-exchange plasmas

Several laboratory facilities were used to benchmark theoretical spectral models that are extensively used by astronomical communities. However, there are still many differences between astrophysical environments and laboratory miniatures that can be archived. Here we setup a spectral analysis system for astrophysical and laboratory plasmas to make a bridge between them, and we investigate the effects from non-thermal electrons and the contributions from a metastable level population on level populations and charge stage distribution for coronal-like, photoionized, and geocoronal plasmas. Test applications to laboratory measurement (i.e., electron beam ion trap plasma) and astrophysical observation (i.e., Comet, Cygnus X-3) are presented. A time evolution of the charge stage and level population are also explored for collisional and photoionized plasmas.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Laboratory electron screening in nuclear resonance reactions

Both nonresonant and resonance reaction data are subject to laboratory electron screening effects. For non resonant reactions, such effects are well documented and the measured cross sections can be corrected to find the unscreened ones. Frequently, the procedure and expression to calculate laboratory electron screening factors for nonresonant reactions are also applied to isolated narrow resonances, without much theoretical support or experimental evidence. Here, a simple model is applied to estimate electron screening factors, lengths, and potentials for narrow resonances. The corrections to the measured data result in an enhancement of the unscreened resonance strengths by less than 0.2%, contrary to published narrow-resonance screening correction factors, which predict a reduction of the unscreened strengths by up to 25%. Unless it can be proven otherwise, it is recommended that measured strengths of isolated narrow resonances not be corrected for laboratory electron screening. The prospects of investigating laboratory electron screening effects by measuring almost negligible differences in resonance strengths are not promising. Instead, the difference of the resonance energy for the unscreened and screened situation may be measurable. As an example, the case of the E r = 956-keV resonance in the 27 Al(p,γ) 28 Si reaction is discussed. It is also demonstrated that the claim of a previously reported detection of a resonance near 800 keV in the 176 Lu(p,n) 176 Hf reaction is incorrect.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2014

Dynamic Wireless Charging of Electric Vehicle Demonstrated at Oak Ridge National Laboratory: Benefit of Electrochemical Capacitor Smoothing

Abstract Wireless charging of an electric vehicle while in motion presents challenges in terms of low latency communications for roadway coil excitation sequencing, and maintenance of lateral alignment, plus the need for power flow smoothing. This paper summarizes the experimental results on power smoothing of in-motion wireless EV charging performed at Oak Ridge National Laboratory using various combinations of electrochemical capacitors at the grid-side and in-vehicle. Electrochemical capacitors of the symmetric carbon-carbon type from Maxwell Technologies comprised the in-vehicle smoothing of wireless charging current to the EV battery pack. Electro Standards Laboratories fabricated the passive and active parallel lithium-capacitor unit used to smooth grid-side power. Power pulsation reduction was 81% on grid by LiC, and 84% on vehicle for both lithium-capacitor and the carbon ultracapacitors.

Miller, John M↗