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DOE OSTI2023

Research on the mechanism of interactions between Li/Na/K atoms and electrode materials

As the demand for high-capacity battery materials continues to grow, the exploration of the interaction mechanisms between Li/Na/K atoms and electrode materials has gained tremendous attention. In this study, we introduce a descriptor (ɛɑ) aimed at efficiently identifying high-performance electrode materials, specifically from two-dimensional transition metal chalcogenides and C and N compounds (MXenes). Our density functional theory calculations disclose a robust linear relationship between this descriptor and the adsorption energy (Ead), represented as Ead = ɛɑ + b. The fitting parameters, ɛɑ and b, are individually linked to the inherent properties of the substrate and adsorbate. Explicitly, the descriptor ɛɑ represents the capacity of the electrode material to accommodate an extra electron, while the intercept b is determined by the ionization energy (EIP) of alkali atoms and the coupling energy (Ecp) between the cation to the negatively charged substrate. This finding serves as a practical guide for designing high-capacity battery materials and paves the way for future advancements in this field.

Physics↗

DOE OSTI2025

Evaluation of current density measurement methods for high-current, low-beta electron beams

Recent current density measurements with a low-beta electron beam (β=0.5-0.75) are strongly affected by electron scatter and Cherenkov limits. These invasive measurements are heavily influenced by the electron energy and the intercepting material properties: density, index of refraction, and atomic number. We evaluate various measurement methods, including x-ray scintillation and Cherenkov emission. To optimize the x-ray scintillation technique for this energy regime, metal foils of differing atomic number (Z) and thickness were placed upstream of a scintillation screen. We have selected Cherenkov emitters, based on a material refractive index, in order to differentiate the contributions from electron scatter and produced fluorescence, Cherenkov emission, and total internal reflection. The observed distributions for both approaches are verified through MCNP6®. Additionally, the simulations provide insight as to what physical processes dominate the measured distribution. We conclude by determining the limits and optimal measurement range for each measurement technique.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2017

Analysis of coherent quantum cryptography protocol vulnerability to an active beam-splitting attack

We consider a new type of attack on a coherent quantum key distribution protocol [coherent one-way (COW) protocol]. The main idea of the attack consists in measuring individually the intercepted states and sending the rest of them unchanged. We have calculated the optimum values of the attack parameters for an arbitrary length of a communication channel and compared this novel attack with a standard beam-splitting attack. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Isoprene photochemistry over the Amazon rainforest

Isoprene photooxidation is a major driver of atmospheric chemistry over forested regions. Isoprene reacts with hydroxyl radicals (OH) and molecular oxygen to produce isoprene peroxy radicals (ISOPOO). These radicals can react with hydroperoxyl radicals (HO2) to domi-nantly produce hydroxyhydroperoxides (ISOPOOH). They can also react with nitric oxide (NO) to largely produce methyl vinyl ketone (MVK) and methacrolein (MACR). Unimolecular isomerization and bimolecular reactions with organic peroxy radicals are also possible. There is uncertainty about the relative importance of each of these pathways in the atmosphere and possible changes because of anthropogenic pollution. Herein, measurements of ISOPOOH and MVK + MACR concentrations are reported over the central region of the Amazon basin during the wet season. The research site, downwind of an urban region, intercepted both background and polluted air masses during the GoAmazon2014/5 Experiment. Under background conditions, the confidence interval for the ratio of the ISOPOOH concentration to that of MVK + MACR spanned 0.4–0.6. This result implies a ratio of the reaction rate of ISOPOO with HO2 to that with NO of approximately unity. A value of unity is significantly smaller than simulated at present by global chemical transport models for this important, nominally low-NO, forested region of Earth. Under polluted conditions, when the concentrations of reactive nitrogen compounds were high (>1 ppb), ISOPOOH concentrations dropped below the instrumental detection limit (<60 ppt). This abrupt shift in isoprene photooxidation, sparked by human activities, speaks to ongoing and possible future changes in the photochemistry active over the Amazon rainforest.

Liu, Yingjun↗

DOE OSTI2019

A round Earth for climate models

Sunlight drives the Earth’s weather, climate, chemistry, and biosphere. Recent efforts to improve solar heating codes in climate models focused on more accurate treatment of the absorption spectrum or fractional clouds. A mostly forgotten assumption in climate models is that of a flat Earth atmosphere. Spherical atmospheres intercept 2.5 W·m −2 more sunlight and heat the climate by an additional 1.5 W⋅m −2 globally. Such a systematic shift, being comparable to the radiative forcing change from preindustrial to present, is likely to produce a discernible climate shift that would alter a model’s skill in simulating current climate. Regional heating errors, particularly at high latitudes, are several times larger. Unlike flat atmospheres, constituents in a spherical atmosphere, such as clouds and aerosols, alter the total amount of energy received by the Earth. To calculate the net cooling of aerosols in a spherical framework, one must count the increases in both incident and reflected sunlight, thus reducing the aerosol effect by 10 to 14% relative to using just the increase in reflected. Simple fixes to the current flat Earth climate models can correct much of this oversight, although some inconsistencies will remain.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Radiation Shielding Analysis of Linac Extension Area in APS Using FLUKA and PHITS Monte Carlo Radiation Transport Codes

The Linac extension area tunnel can accept 300- to 500-MeV electrons for experiments. Radiations from various normal and accident beam loss scenarios were analyzed with the FLUKA and PHITS Monte Carlo radiation transport codes. In normal beam loss scenarios, the beam was dumped on the horizontal and vertical beam dumps, while the accident scenarios were horizontal and vertical mis-steered beams that can occur due to incorrect beam energy and magnet settings. The extent of beam deviation, which was established using particle tracking studies, was used to define the beam directions in the Monte Carlo transport calculations. Further, a mis-steered condition, where the beam was not intercepted by the dumps, was also analyzed. For the horizontal dump, the PHITS results above the berm were higher for neutrons and somewhat lower for photons, compared to the FLUKA results. Comparison of the secondary particle yields from FLUKA and PHITS from an Al block with dimensions comparable to what was used in the beam dumps showed a 40% higher neutron yield and a 10% lower photon yield. Finally, to ensure compliance with Argonne National Laboratory's shielding policy, the design of the horizontal beam dump was modified, and additional shielding was recommended.

FLUKA↗

DOE OSTI2018

Comparison of One- and Two-Variable Linear Regression Models and Classic Energy Intensity for Energy Performance Tracking of Two Manufacturing Sectors

We report manufacturing facilities consumed about 32% of total domestic energy in the United States in 2016. To evaluate the energy savings achieved through the implementation of energy conservation projects and to establish powerful arguments for future projects, accurate energy performance tracking methods are necessary. The classic energy intensity method (i.e., the ratio of annual total energy over annual total production) is the means most widely used to measure savings because it can be understood and calculated easily. This method considers the variation in production rates to some extent; however, it fundamentally assumes facilities' base energy consumption (energy consumption at zero production) to be zero, which rarely holds true. Furthermore, this method does not consider variations in other relevant parameters, such as weather conditions. Therefore, the regression models approach is commonly recommended to track energy performance improvements. However, because it requires more data and statistical expertise, the regression models approach has been adopted by only a few facilities, and many others suspect it is not worth the effort for their specific cases. For this reason, the improved accuracy this approach offers needs to be demonstrated. By analyzing 477 monthly energy (electricity and natural gas) data sets, this study quantitatively compared the accuracy of classic energy intensity, one-variable (production only) linear regression models, and two-variable (i.e., production and weather) linear regression models for two manufacturing sectors (primary metal and transportation equipment manufacturing). Results showed that significant improvements in accuracy were achieved with one-variable regression models when compared with the classic energy intensity method and with two-variable regression models when compared with one-variable regression models. These improvements were demonstrated using the p values of intercept, cooling degree days, and heating degree days. Based on these results, to achieve a good balance between accuracy improvements and resources requirements, one-variable (production only) linear regression models for electricity consumption and two-variable (production and heating degree days) linear regression models for natural gas consumption are recommended for both sectors in the case of limited resources. Lastly, facilities can also use the results to decide which approaches fit better in their cases.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Application of end-of-shift respirable crystalline silica monitoring to construction

A pilot project was conducted to determine the effect of common construction dusts as interferences in a new portable end-of-shift (EoS), direct-on-filter (DoF) sampling and analysis method for respirable crystalline silica (RCS), in this case, quartz. Construction dusts were prepared from plaster, drywall, cement and brick by grinding, aerosolizing, and collecting respirable dust with high flow rate cyclones. Filters were loaded with different levels of commercial α-quartz powder Min-u-Sil 5, and different levels of interfering dusts, singly and in combination. Samples were analyzed by Fourier Transform Infrared Spectroscopy (FTIR). Good correlations were found between nominal quartz loading (0 µg, 25 µg, 50 µg, and 100 µg) adjusted for quartz in the interfering dust and FTIR absorbance alone and in the presence of all interfering dusts. The slopes of the correlations were similar whether the loading was quartz without interference, or with plaster, drywall, and cement dusts, regardless of quantity. The results show that (a) plaster and drywall dusts do not interfere substantially; (b) cement does not interfere, but a change in the intercept suggests an effect on the background absorbance of the filter; and (c) in addition to having a substantial quartz content, brick dust contains an additional material, probably a silicate mineral, which interferes with the quartz peak. Thus, the presence of cement leads to lower quartz values and brick leads to higher values, but overall, 83% of the quartz contents predicted from the calibration data agreed within 50% of the adjusted nominal loadings within the range 20–110 µg. This result is encouraging given the high levels of interfering dusts. Nine samples loaded with smaller amounts of all four dusts together gave results within 25% of the adjusted nominal loadings. A single mixture addition of the dusts to the filter gave tighter variance in results than sequential additions. Unexpectedly, the two Certified Reference Materials (CRMs) 1878a and 1878b, gave different results when used to calibrate XRD analysis of Min-u-Sil 5.

42 ENGINEERING↗

DOE OSTI2015

EVIDENCE FOR THE UNIVERSALITY OF PROPERTIES OF RED-SEQUENCE GALAXIES IN X-RAY- AND RED-SEQUENCE-SELECTED CLUSTERS AT z ∼ 1

We study the slope, intercept, and scatter of the color–magnitude and color–mass relations for a sample of 10 infrared red-sequence-selected clusters at z ∼ 1. The quiescent galaxies in these clusters formed the bulk of their stars above z ≳ 3 with an age spread Δt ≳ 1 Gyr. We compare UVJ color–color and spectroscopic-based galaxy selection techniques, and find a 15% difference in the galaxy populations classified as quiescent by these methods. We compare the color–magnitude relations from our red-sequence selected sample with X-ray- and photometric-redshift-selected cluster samples of similar mass and redshift. Within uncertainties, we are unable to detect any difference in the ages and star formation histories of quiescent cluster members in clusters selected by different methods, suggesting that the dominant quenching mechanism is insensitive to cluster baryon partitioning at z ∼ 1.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

DISTRIBUTIONS OF LONG-LIVED RADIOACTIVE NUCLEI PROVIDED BY STAR-FORMING ENVIRONMENTS

Radioactive nuclei play an important role in planetary evolution by providing an internal heat source, which affects planetary structure and helps facilitate plate tectonics. A minimum level of nuclear activity is thought to be necessary—but not sufficient—for planets to be habitable. Extending previous work that focused on short-lived nuclei, this paper considers the delivery of long-lived radioactive nuclei to circumstellar disks in star forming regions. Although the long-lived nuclear species are always present, their abundances can be enhanced through multiple mechanisms. Most stars form in embedded cluster environments, so that disks can be enriched directly by intercepting ejecta from supernovae within the birth clusters. In addition, molecular clouds often provide multiple episodes of star formation, so that nuclear abundances can accumulate within the cloud; subsequent generations of stars can thus receive elevated levels of radioactive nuclei through this distributed enrichment scenario. This paper calculates the distribution of additional enrichment for {sup 40}K, the most abundant of the long-lived radioactive nuclei. We find that distributed enrichment is more effective than direct enrichment. For the latter mechanism, ideal conditions lead to about 1 in 200 solar systems being directly enriched in {sup 40}K at the level inferred for the early solar nebula (thereby doubling the abundance). For distributed enrichment from adjacent clusters, about 1 in 80 solar systems are enriched at the same level. Distributed enrichment over the entire molecular cloud is more uncertain, but can be even more effective.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Dosimetric delivery validation of dynamically collimated pencil beam scanning proton therapy

Pencil beam scanning (PBS) proton therapy target dose conformity can be improved with energy layer-specific collimation. One such collimator is the dynamic collimation system (DCS), which consists of four nickel trimmer blades that intercept the scanning beam as it approaches the lateral extent of the target. While the dosimetric benefits of the DCS have been demonstrated through computational treatment planning studies, there has yet to be experimental verification of these benefits for composite multi-energy layer fields. The objective of this work is to dosimetrically characterize and experimentally validate the delivery of dynamically collimated proton therapy with the DCS equipped to a clinical PBS system. Approach. Optimized single field, uniform dose treatment plans for 3 × 3 × 3 cm 3 target volumes were generated using Monte Carlo dose calculations with depths ranging from 5 to 15 cm, trimmer-to-surface distances ranging from 5 to 18.15 cm, with and without a 4 cm thick polyethylene range shifter. Treatment plans were then delivered to a water phantom using a prototype DCS and an IBA dedicated nozzle system and measured with a Zebra multilayer ionization chamber, a MatriXX PT ionization chamber array, and Gafchromic™ EBT3 film. Main results. For measurements made within the SOBPs, average 2D gamma pass rates exceeded 98.5% for the MatriXX PT and 96.5% for film at the 2%/2 mm criterion across all measured uncollimated and collimated plans, respectively. For verification of the penumbra width reduction with collimation, film agreed with Monte Carlo with differences within 0.3 mm on average compared to 0.9 mm for the MatriXX PT. Significance. We have experimentally verified the delivery of DCS-collimated fields using a clinical PBS system and commonly available dosimeters and have also identified potential weaknesses for dosimeters subject to steep dose gradients.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2020

Thermoeconomic cost optimization of superconducting magnets for proton therapy gantries

A compact gantry delivering 70-220 MeV protons with fixed field in the superconducting magnets could reduce the cost and improve the adoption of proton therapy. While a number of magnet and cryogenics designs have been proposed, the combined capital and operating costs of state-of-the-art superconducting materials have not been analyzed. In response, we develop a thermoeconomic model of a multi-stage, conduction cooled gantry lattice and analyze the cryocooler operating cost, cryocooler capital cost and conductor capital cost for Nb-Ti, Nb 3 Sn, REBCO and Bi-2223 over a continuous range of magnet temperatures, and a differential evolution algorithm is used to identify the optimal combination of thermal intercept temperatures. Although Nb3Sn yields the lowest Net Present Value (NPV) of $111.7k at a magnet temperature of 9.4 K, the optimized Bi-2223 design at 12.8 K approaches the realm of commercial feasibility by offering improved thermal stability and forgoing the need for costly conductor heat treatment and magnet quench training. Furthermore, it was found that Nb3Sn was more cost effective than Nb-Ti and that REBCO was not economically viable for the parameters of this investigation. Overall, the thermoeconomic model developed herein can optimize conductor choices, magnet temperatures and thermal staging which has value for any conduction-cooled superconducting magnet.

BSCCO↗

DOE OSTI2019

Measurement and modeling of magnetic configurations to mimic overload scenarios in the W7-X stellarator

Experiments were performed during the first divertor operational phase (OP1.2a) of the Wendelstein 7-X stellarator to verify predictions of potential overload conditions corresponding to certain high-power long-pulse OP2 scenarios. A potential solution to this overload is the installation of new divertor components called scraper elements, which are designed to intercept heat flux that would otherwise be incident on low-rated divertor edges. Heat flux measurements were obtained in a series of magnetic configurations designed to mimic the magnetic topology evolution caused by net toroidal current and beta, which is not directly accessible in OP1.2a. The experimental flux patterns are qualitatively reproduced in position and magnitude for by field line diffusion simulations using ad hoc cross-field diffusivities near the value used to design the scraper element. However, some important differences are observed, including a shift towards the pumping gap and low-rated components. Potential sources of discrepancy such as toroidal current evolution and error fields are discussed. In conclusion, a shift in the experimental heat flux pattern due to increasing toroidal current is observed in a 12 s discharge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Mitigation of ICRF—edge plasma interaction in Alcator C-Mod

The parasitic interaction between ion cyclotron range of frequencies (ICRF) waves and the edge plasma has long limited high-power ICRF utilization in magnetically confined fusion plasmas. In this paper, we report on the successful mitigation of this interaction by power tapering a four-strap field-aligned (FA) antenna in the Alcator C-Mod tokamak. With the antenna operated in dipole phasing ($0\pi0\pi$), the ratio of the power coupled by the central two straps ($P_\mathrm {cent}$) to the power coupled by the outer two straps was varied at fixed total coupled ICRF power ($P_\mathrm {tot}$). With $P_\mathrm {cent}$/$P_\mathrm {tot} \approx 0.8-0.9$, no enhancement of the plasma potential was measured despite 1 MW of coupled ICRF power. When the antenna is powered, energy deposition increases on its four corners and on neighboring limiter tiles magnetically connected to some of those corners. The energy deposited on the antenna and limiter is minimized together with near-field plasma potentials. Additionally, we show that deviation from $P_\mathrm {cent}$/$P_\mathrm {tot} \approx 0.8$ enhances wave-plasma interactions in places not magnetically connected to the antenna. These far-field effects are correlated with changes in the antenna spectrum. Hence, on C-Mod, near-field and far-field interactions were minimized for about the same range of $P_\mathrm {cent}$/$P_\mathrm {tot}$. Optimal power tapering was also found to improve ICRF heating efficiency and facilitate H-mode access. Finally, we show that the heat flux pattern on the toroidally aligned antennas reverses with the direction of the RF-induced E×B flow in front of the antenna, a correlation not observed for the FA antenna. We argue that the RF-induced E×B flow, which carries high-density plasma from the near-SOL, is aligned with the FA antenna and does not intercept its corners, where the plasma potential is large. This could explain the previously reported smaller impurity generation by the FA antenna (Wukitch et al 2013 Phys. Plasmas 20 056117).

Alcator C-Mod↗

DOE OSTI2025

Aligning thermal and current quenches with a high density low-Z injection

The conventional approach for thermal quench (TQ) mitigation in a tokamak disruption is through a high- Z impurity injection that radiates away the plasma’s thermal energy before it reaches the wall. The downside is a robust Ohmic-to-runaway current conversion due to the radiatively clamped low post-thermal-quench electron temperature. An alternative approach is to deploy a low- Z (either deuterium or hydrogen) injection that aims to slow down the TQ, and ideally aligns it with the current quench (CQ). This approach has been investigated here via 3D MHD simulations using the PIXIE3D code. By boosting the hydrogen density, a fusion-grade plasma is dilutionally cooled at approximately the original pressure. Energy loss to the wall is controlled by a Bohm outflow condition at the boundary where the magnetic field intercepts a thin plasma sheath at the wall, in addition to Bremsstrahlung bulk losses. Robust MHD instabilities proceed as usual, while the collisionality of the plasma has been greatly increased and parallel transport is now in the Braginskii regime. The main conclusion of this study is that the decreased transport loss along open field lines due to a sufficient low- Z injection slows down the TQ rate to the order of 20 ms, aligned with the CQ timescale for a 15 MA ITER plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Proton structure functions at small x

Proton structure functions are measured in electron-proton collision through inelastic scattering of virtual photons with virtuality Q on protons; x denotes the momentum fraction carried by the struck parton. Proton structure functions are currently described with excellent accuracy in terms of scale dependent parton distribution functions, defined in terms of collinear factorization and DGLAP evolution in Q. With decreasing x however, parton densities increase and are ultimately expected to saturate. In this regime DGLAP evolution will finally break down and non-linear evolution equations w.r.t x are expected to take over. In the first part of the talk we present recent result on an implementation of physical DGLAP evolution. Unlike the conventional description in terms of parton distribution functions, the former describes directly the Q dependence of the measured structure functions. It is therefore physical insensitive to factorization scheme and scale ambiguities. It therefore provides a more stringent test of DGLAP evolution and eases the manifestation of (non-linear) small x effects. It however requires a precise measurement of both structure functions F 2 and F L , which will be only possible at future facilities, such as an Electron Ion Collider. In the second part we present a recent analysis of the small x region of the combined HERA data on the structure function F 2 . We demonstrate that (linear) next-to-leading order BFKL evolution describes the effective Pomeron intercept, determined from the combined HERA data, once a resummation of collinear enhanced terms is included and the renormalization scale is fixed using the BLM optimal scale setting procedure. We also provide a detailed description of the Q and x dependence of the full structure functions F 2 in the small x region, as measured at HERA. As a result, predictions for the structure function F L are found to be in agreement with the existing HERA data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2017

Assessment of thermal loads in the CERN SPS crab cavities cryomodule 1

As a part of the HL-LHC upgrade, we designed a cryomodule to host two crab cavities for a first test with protons in the SPS machine. The evaluation of the cryomodule heat loads is essential to dimension the cryogenic infrastructure of the system. The current design features two cryogenic circuits. The first circuit adopts superfluid helium at 2 K to maintain the cavities in the superconducting state. The second circuit, based on helium gas at a temperature between 50 K and 70 K, is connected to the thermal screen, also serving as heat intercept for all the interfaces between the cold mass and the external environment. We present an overview of the heat loads to both circuits, and the combined numerical and analytical estimations. The heat load of each element is detailed for the static and dynamic scenarios, with considerations on the design choices for the thermal optimization of the most critical components.

43 PARTICLE ACCELERATORS↗

DOE OSTI2016

Nanosecond-level time synchronization of autonomous radio detector stations for extensive air showers

To exploit the full potential of radio measurements of cosmic-ray air showers at MHz frequencies, a detector timing synchronization within 1 ns is needed. Large distributed radio detector arrays such as the Auger Engineering Radio Array (AERA) rely on timing via the Global Positioning System (GPS) for the synchronization of individual detector station clocks. Unfortunately, GPS timing is expected to have an accuracy no better than about 5 ns. In practice, in particular in AERA, the GPS clocks exhibit drifts on the order of tens of ns. We developed a technique to correct for the GPS drifts, and an independent method used for cross-checks that indeed we reach nanosecond-scale timing accuracy by this correction. First, we operate a “beacon transmitter” which emits defined sine waves detected by AERA antennas recorded within the physics data. The relative phasing of these sine waves can be used to correct for GPS clock drifts. In addition to this, we observe radio pulses emitted by commercial airplanes, the position of which we determine in real time from Automatic Dependent Surveillance Broadcasts intercepted with a software-defined radio. From the known source location and the measured arrival times of the pulses we determine relative timing offsets between radio detector stations. We demonstrate with a combined analysis that the two methods give a consistent timing calibration with an accuracy of 2 ns or better. Consequently, the beacon method alone can be used in the future to continuously determine and correct for GPS clock drifts in each individual event measured by AERA.

47 OTHER INSTRUMENTATION↗