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DOE OSTI2020

The charge reduction rate for multiply charged polymer ions via ion–ion recombination at atmospheric pressure

The charge reduction of multiply charged macromolecular ions via recombination with small ions in the gas phase is commonly employed to modulate the charge on macromolecules prior to mass spectrometric and mobility analyses. We employ a recently developed continuum-Molecular Dynamics (MD) calculation approach to determine the recombination rate coefficient of multiply charged (1 to 7 excess positive charged) polyethylene glycol ions (mass of 4600 Da) with smaller singly charged anions, modeled as NO 2 – ions. The continuum-MD approach accounts explicitly for the influence of the background gas on the recombination process, accounts explicitly for ion translational, vibrational, and rotational motion, and enables recombination rate coefficient calculation in nitrogen near atmospheric pressure, wherein neither low pressure nor high pressure recombination theories are strictly applicable. Continuum-MD simulations yield recombination rate coefficients near 3.9 × 10 –14 m 3 s –1 for singly charged ions, increasing to 3.0 × 10 –11 m 3 s –1 for the +7 ion. Pre-existing collision rate coefficient expressions for rigid ions are found to be within a factor of 2–5 of calculations for all charge states, but their use requires knowledge of an appropriate collision distance, which is not well-defined for flexible polymer ions. Continuum-MD-inferred rate coefficients are incorporated into a model of charge reduction, and the charge state distribution versus anion concentration determined with it is compared to charge reduction measurements made via atmospheric pressure differential mobility analysis. Furthermore, good agreement is observed between simulations and experiments; although results are extremely sensitive to the recombination rate coefficients, experimental results are bound by models utilizing rates within a factor of 2 (0.5–2.0×) of the continuum-MD rates.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2020

Model for photothermal ionization and molecular recombination during pulsed ablation of polyethylene

The surface erosion of polyethylene is studied under conditions characteristic of extremely high-rate heating expected in laser-driven and high energy density experiments. A coupled model for photoionization and volumetric photothermal degradation of polyethylene is developed that includes finite rate chemistry and molecular recombination of radicals. First, the model is used to explore the evolution of radicals and hydrocarbons during isochoric heating, for which it is found that polyethylene is not in chemical equilibrium for rates >108K/s. Then, the model is used to explore the cooperativity between photoionization and photothermal ionization during one-dimensional ablation from a pulsed heating source, accounting for coupled energy deposition, thermokinetics, thermochemistry, hydrodynamics, mechanics, and thermal conduction in the ALEGRA multi-physics code. The ablation depth per energy pulse is found to agree with an analytical model for instantaneous energy deposition and absent molecular recombination or photoionization. Otherwise, molecular recombination of radicals reduces the depth of ablation per pulse, owing to thermal stabilization on forming branched molecules. Radical formation through photoionization can be compensated for by recombination, but it accelerates ablation at high enough photoionization rates. Finally, the influence of molecular recombination on the ablation depth is found to decrease for long pulses, owing to decreased recombination reaction rates at lower vapor densities near the ablated surface. These and other findings highlight competition between the processes of scission, recombination, and photoionization during pulsed ablation of polyethylene.

Moore, N. W. (ORCID:0000000272259674)↗

DOE OSTI2023

Trends in runaway electron plateau partial recombination by massive H 2 or D 2 injection in DIII-D and JET and first extrapolations to ITER and SPARC

Abstract Experimental trends in thermal plasma partial recombination resulting from massive D 2 injection into high-Z (Ar) containing runaway electron (RE) plateaus in DIII-D and JET are studied for the purpose of achieving sufficiently low electron density ( n e ≈ 10 18 m − 3 ) to increase RE final loss MHD levels. In both DIII-D and JET, thermal electron density n e is found to drop by ∼100 × when the thermal plasma partially recombines, with a minimum at a vacuum vessel-averaged D 2 density in the range 10 20 − 10 21 m − 3 . RE effective resistivity also drops after partial recombination, indicating expulsion of the Ar content. The n e level after partial recombination is found to increase as RE current is increased. The amount of initial Ar in the RE plateau is not observed to have a strong effect on partial recombination. Partial recombination timescales of order 5 ms in DIII-D and 15 ms in JET are observed. These basic trends and timescales are matched with a 1D diffusion model, which is then used to extrapolate to ITER and SPARC tokamaks. Within the approximations of this model, it is predicted that ITER will be able to achieve sufficiently low n e values on time scales faster than expected RE plateau vertical drift timescales (of order 100 ms), provided sufficient D 2 or H 2 is injected. In SPARC, it is predicted that achieving significant n e recombination will be challenging, due to the very high RE current density. In both ITER and SPARC, it is predicted that achieving low n e will be easier with Ar as a background impurity (rather than Ne).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Stepwise recombination suppression around the mating-type locus in an ascomycete fungus with self-fertile spores

Recombination is often suppressed at sex-determining loci in plants and animals, and at self-incompatibility or mating-type loci in plants and fungi. In fungal ascomycetes, recombination suppression around the mating-type locus is associated with pseudo-homothallism, i.e. the production of self-fertile dikaryotic sexual spores carrying the two opposite mating types. This has been well studied in two species complexes from different families of Sordariales: Podospora anserina and Neurospora tetrasperma. However, it is unclear whether this intriguing association holds in other species. We show here that Schizothecium tetrasporum, a fungus from a third family in the order Sordariales, also produces mostly self-fertile dikaryotic spores carrying the two opposite mating types. This was due to a high frequency of second meiotic division segregation at the mating-type locus, indicating the occurrence of a single and systematic crossing-over event between the mating-type locus and the centromere, as in P. anserina. The mating-type locus has the typical Sordariales organization, plus a MAT1-1-1 pseudogene in the MAT1-2 haplotype. High-quality genome assemblies of opposite mating types and segregation analyses revealed a suppression of recombination in a region of 1.47 Mb around the mating-type locus. We detected three evolutionary strata, indicating a stepwise extension of recombination suppression. The three strata displayed no rearrangement or transposable element accumulation but gene losses and gene disruptions were present, and precisely at the strata margins. Our findings indicate a convergent evolution of self-fertile dikaryotic sexual spores across multiple ascomycete fungi. The particular pattern of meiotic segregation at the mating-type locus was associated with recombination suppression around this locus, that had extended stepwise. This association between pseudo-homothallism and recombination suppression across lineages and the presence of gene disruption at the strata limits are consistent with a recently proposed mechanism of sheltering deleterious alleles to explain stepwise recombination suppression.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Crosscutting Recombination Metrology for Expediting VOC Engineering

Work carried out under this grant addressed the need for improved materials and device characterization of solar cell designs. This experimental program aimed to develop joint electrical and optical studies of solar cells based on the group-II-VI semiconductor CdTe and the chalcogenide semiconductor Cu(InGa)Se 2 . Electrical measurements focused on temperature (T) and illumination intensity (I) dependence of the open-circuit voltage (VOC), a quantity that plays an important role in conversion efficiency. The VOC depends on temperature and illumination intensity through the energy gap and positions of the quasiFermi levels (QFLs). Optical measurements exploited the illumination and temperature dependence of absolute photoluminescence (PL) intensity (PL-I), a quantity that also depends on the QFL positions. The QFL splitting is a quantity that also depends on recombination rates within the solar cell, including radiative and non-radiative processes. Other factors affect the electrical and optical properties. These include band offsets at both the front and back interfaces of the device active region where electrical contacts are formed. Understanding, locating, and quantifying the recombination properties of the solar cells was the principal goal of this research. Custom simulations were developed to solve continuity and Poisson equations selfconsistently to obtain free-electron and free-hole concentrations. The measurements of temperature and intensity dependent VOC and PL-I allowed the extraction of a number of physical parameters including the conduction band offset, the shunt constant, and the effective capture coefficient for recombination centers, both within the absorber and at the absorber-buffer interface. In addition, the back-contact barrier height is determined from electrical properties. Each of these is discussed in the report. The illumination intensity dependence of VOC and PL-I do not overlap in experiments primarily because PL is not observed in the low-intensity regime where VOC is studied. Absolute PL-I measurements enabled development of an approach directly comparing it with VOC. This in turn allowed development of a simulation capability that would consistently use both measurements, as functions of T and I, for producing a minimization scheme using a differential evolution algorithm. The approach was applied to both CdTe and Cu(InGa)Se 2 solar cells each prepared under various conditions. Shunt conductivity, QFL splitting, recombination were measured. Also extensively studied are current-voltage and frequency-dependent capacitance voltage. Work completed under this grant included studies of magnesium zinc oxide (MZO) buffered CdTe solar cells including the effects of hydroiodic acid (HI) treatment. From these studies the recombination rates were quantified at the buffer/absorber (front) interface. The effect of back-contact barrier height was investigated. CdTe solar cells were prepared with CdSe and CdS buffer layers. Lower grain-boundary potential fluctuation, higher back-contact barrier height, and greater bulk recombination were observed in early devices with CdSe buffer layer. Investigations were also carried out into CdS/Cu(InGa)Se 2 solar cells. A metal-insulatorsemiconductor capacitance-voltage technique was developed to extract recombinationrelevant properties of the absorber interface. From this work the density of interface states D it , their capture cross-section σ, fixed charge at the interface Q f , and surface recombination velocity were all extracted.

14 SOLAR ENERGY↗

NASA NTRS1977

The influence of autoionization accompanied by excitation on dielectronic recombination and ionization equilibrium

In the process of dielectronic recombination, the doubly excited state formed by radiationless capture may autoionize preferentially into an excited state of the recombining ion. This additional autoionization process has not been discussed in previous treatments of dielectronic recombination. The dielectronic recombination rates for certain nonhydrogenic Fe ions, although still larger than the direct radiative recombination rates, are found to be substantially reduced by the inclusion of the additional autoionization rate in the branching ratio for the stabilizing radiative transition. Consequently, the temperatures of maximum equilibrium abundance are significantly lower than those predicted by recent calculations. Finally, the radiative energy loss rate coefficients are calculated for radiation processes involving electron Fe-ion collisions in high-temperature plasmas. Electron impact excitation of resonance line radiation is the dominant radiative cooling mechanism in steady-state plasmas at temperatures where ions with bound electrons are abundant. However, it is found that the radiation emitted during dielectronic recombination can be more important than direct recombination radiation and bremsstrahlung.

Jacobs, V. L.↗

NASA NTRS1980

'Bottleneck' calculation of ion-electron recombination coefficients for lithium-like ions

The ion-electron recombination coefficients for the lithium-like ions C IV, O VI, Ne VIII, Si XII and Ar XVI are computed by the bottleneck method of Byron et al. (1962). In this method, the minimum rate of transitions down the ladder of energy level is taken as the limiting recombination rate, and the particular energy level corresponding to the minimum transition rate is found. The partial collisional radiative recombination coefficient is obtained in terms of the equilibrium population, the rate of collisional de-excitation, the mean radiative transition probability from the bottleneck level and the total transition probability from a level above the bottleneck level to all levels below it. The full collisional-radiative recombination is then obtained by the addition of the values of the radiative recombination coefficient and the three-body recombination coefficient to the ground level. Results of the calculation are shown to be in good agreement with those of Drawin and Emard (1975) for the case of hydrogen. It is also noted that the process of dielectronic recombination, which is not accounted for here, may be significant at lower densities.

Kastner, S. O.↗

DOE OSTI2024

Excitonic Shockley-Read-Hall recombination in organic semiconductors

Trap-mediated recombination influences the performance of a wide range of electronic devices. The well-known Shockley-Read-Hall (SRH) expression for inorganic semiconductors is often invoked to describe the recombination rate in organic materials, although without a clear understanding of how its parameters relate to the underlying material properties or how it should be modified to account for the finite lifetime of exciton intermediates in, for example, the doped emissive layer of an organic light-emitting diode (OLED). Here, we formalize SRH recombination for organic semiconductors based on diffusive trapping and Langevin recombination. We show that including the exciton state suppresses the recombination rate in host-guest systems with type II energy level alignment whenever the interfacial gap between the host and guest molecular orbitals is comparable to the exciton energy. Furthermore, these results quantify the balance between bimolecular and trap-mediated recombination in doped OLED emissive layers, and indicate that devices with type II host-guest pairings can, in principle, beat the thermodynamic limit of their neat guest counterparts.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Bias‐Dependent Quantum Efficiency Reveals Recombination Pathways in Thin Film Solar Cells

Identifying where recombination predominantly occurs—whether at the front interface, back interface, or throughout the bulk—is crucial for optimizing CdSeTe solar cells and many other photovoltaic device architectures. Here, a simple and effective diagnostic is demonstrated: measuring external quantum efficiency (QE) under varying forward biases. The drift–diffusion simulations reveal that each recombination pathway leaves a distinct bias-induced signature in the normalized QE: a progressive drop at long wavelengths for back-limited devices, a short-wavelength decline for front-limited devices, and a relatively uniform decrease across all wavelengths for bulk-limited devices. These predictions are validated with experiments on As-doped and Cu-doped CdSeTe devices, with and without passivation layers or different front buffers. In each case, the observed bias-dependent QE spectral changes align with the simulated recombination map. Because this method uses standard QE instrumentation, it offers a broadly accessible and cost-efficient means to diagnose recombination pathways—extending beyond CdSeTe to other thin-film and emerging solar cell technologies. By pinpointing recombination bottlenecks, researchers and manufacturers can strategically refine doping profiles, passivation schemes, and interface designs to further improve device performance.

CdTe↗

DOE OSTI2018

Photothermal deflection technique investigation of thermal annealing effects of AlGaAsSb/GaSb laser structure: Non-radiative recombination parameters enhancement

Highlights: • Photothermal deflection technique is performed to mesuaure the nonradiative recombination parameters of AlGaAsSb/GaSb. • After annealing time process, nonradiative recombination parameters of AlGaAs / GaSb have been enhanced. • The largest nonradiative recombination values have been found for AlGaAsSb/GaSb annealed for 60 min - Abstract: Photothermal deflection technique (PTD) is used to investigate the effects of thermal annealing time on nonradiative recombination parameters i.e. nonradiative lifetime of minority carriers, electronic diffusion coefficient, and surface and interface recombination velocity of AlGaAsSb/GaSb laser structure. The extraction of the electronic parameters are performed by PTD technique through extensive modeling by fitting the experimental photothermal signal to the corresponding theoretical ones. We have found that nonradiative recombination parameters have been enhanced by annealing time. These results are very promising for improvement of active layer used for vertical-cavity surface-emitting lasers (VCSELs).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Previous exposure to Spike-providing parental strains confers neutralizing immunity to XBB lineage and other SARS-CoV-2 recombinants in the context of vaccination

The emergence of SARS-CoV-2 recombinants is of particular concern as they can result in a sudden increase in immune evasion due to antigenic shift. Recent recombinants XBB and XBB.1.5 have higher transmissibility than previous recombinants such as “Deltacron.” We hypothesized that immunity to a SARS-CoV-2 recombinant depends on prior exposure to its parental strains. To test this hypothesis, we examined whether Delta or Omicron (BA.1 or BA.2) immunity conferred through infection, vaccination, or breakthrough infection could neutralize Deltacron and XBB/XBB.1.5 recombinants. We found that Delta, BA.1, or BA.2 breakthrough infections provided better immune protection against Deltacron and its parental strains than did the vaccine booster. None of the sera were effective at neutralizing the XBB lineage or its parent BA.2.75.2, except for the sera from the BA.2 breakthrough group. These results support our hypothesis. In turn, our findings underscore the importance of multivalent vaccines that correspond to the antigenic profile of circulating variants of concern and of variant-specific diagnostics that may guide public health and individual decisions in response to emerging SARS-CoV-2 recombinants.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Scalable production of recombinant three-finger proteins: from inclusion bodies to high quality molecular probes

The three-finger proteins are a collection of disulfide bond rich proteins of great biomedical interests. Scalable recombinant expression and purification of bioactive three-finger proteins is quite difficult. We introduce a working pipeline for expression, purification and validation of disulfide-bond rich three-finger proteins using E. coli as the expression host. With this pipeline, we have successfully obtained highly purified and bioactive recombinant α-Βungarotoxin, k-Bungarotoxin, Hannalgesin, Mambalgin-1, α-Cobratoxin, MTα, Slurp1, Pate B etc. Milligrams to hundreds of milligrams of recombinant three finger proteins were obtained within weeks in the lab. The recombinant proteins showed specificity in binding assay and six of them were crystallized and structurally validated using X-ray diffraction protein crystallography. Our pipeline allows refolding and purifying recombinant three finger proteins under optimized conditions and can be scaled up for massive production of three finger proteins. As many three finger proteins have attractive therapeutic or research interests and due to the extremely high quality of the recombinant three finger proteins we obtained, our method provides a competitive alternative to either their native counterparts or chemically synthetic ones and should facilitate related research and applications.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Engineering the green algae Chlamydomonas incerta for recombinant protein production

Chlamydomonas incerta , a genetically close relative of the model green alga Chlamydomonas reinhardtii , shows significant potential as a host for recombinant protein expression. Because of the close genetic relationship between C. incerta and C. reinhardtii , this species offers an additional reference point for advancing our understanding of photosynthetic organisms, and also provides a potential new candidate for biotechnological applications. This study investigates C. incerta ’s capacity to express three recombinant proteins: the fluorescent protein mCherry, the hemicellulose-degrading enzyme xylanase, and the plastic-degrading enzyme PHL7. We have also examined the capacity to target protein expression to various cellular compartments in this alga, including the cytosol, secretory pathway, cytoplasmic membrane, and cell wall. When compared directly with C. reinhardtii , C. incerta exhibited a distinct but notable capacity for recombinant protein production. Cellular transformation with a vector encoding mCherry revealed that C. incerta produced approximately 3.5 times higher fluorescence levels and a 3.7-fold increase in immunoblot intensity compared to C. reinhardtii . For xylanase expression and secretion, both C. incerta and C. reinhardtii showed similar secretion capacities and enzymatic activities, with comparable xylan degradation rates, highlighting the industrial applicability of xylanase expression in microalgae. Finally, C. incerta showed comparable PHL7 activity levels to C. reinhardtii , as demonstrated by the in vitro degradation of a polyester polyurethane suspension, Impranil® DLN. Finally, we also explored the potential of cellular fusion for the generation of genetic hybrids between C. incerta and C. reinhardtii as a means to enhance phenotypic diversity and augment genetic variation. We were able to generate genetic fusion that could exchange both the recombinant protein genes, as well as associated selectable marker genes into recombinant offspring. These findings emphasize C. incerta ’s potential as a robust platform for recombinant protein production, and as a powerful tool for gaining a better understanding of microalgal biology.

cell membranes↗

DOE OSTI2018

Electron–Hole Correlations Govern Auger Recombination in Nanostructures

The fast nonradiative decay of multiexcitonic states via Auger recombination is a fundamental process affecting a variety of applications based on semiconductor nanostructures. From a theoretical perspective, the description of Auger recombination in confined semiconductor nanostructures is a challenging task due to the large number of valence electrons and exponentially growing number of excited excitonic and biexcitonic states that are coupled by the Coulomb interaction. These challenges have restricted the treatment of Auger recombination to simple, noninteracting electron–hole models. Herein we present a novel approach for calculating Auger recombination lifetimes in confined nanostructures having thousands to tens of thousands of electrons, explicitly including electron–hole interactions. We demonstrate that the inclusion of electron–hole correlations are imperative to capture the correct scaling of the Auger recombination lifetime with the size and shape of the nanostructure. In addition, correlation effects are required to obtain quantitatively accurate lifetimes even for systems smaller than the exciton Bohr radius. Neglecting such correlations can result in lifetimes that are two orders of magnitude too long. We establish the utility of the new approach for CdSe quantum dots of varying sizes and for CdSe nanorods of varying diameters and lengths. Our new approach is the first theoretical method to postdict the experimentally known “universal volume scaling law” for quantum dots and makes novel predictions for the scaling of the Auger recombination lifetimes in nanorods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Spin selective charge recombination in chiral donor-bridge-acceptor triads

In this paper, we outline a physically motivated framework for describing spin-selective recombination processes in chiral systems, from which we derive spin-selective reaction operators for recombination reactions of donor–bridge–acceptor molecules, where the electron transfer is mediated by chirality and spin–orbit coupling. In general, the recombination process is selective only for spin-coherence between singlet and triplet states, and it is not, in general, selective for spin polarization. We find that spin polarization selectivity only arises in hopping-mediated electron transfer. We describe how this effective spin-polarization selectivity is a consequence of spin-polarization generated transiently in the intermediate state. Furthermore, the recombination process also augments the coherent spin dynamics of the charge separated state, which is found to have a significant effect on the recombination dynamics and to destroy any long-lived spin polarization. Although we only consider a simple donor–bridge–acceptor system, the framework we present here can be straightforwardly extended to describe spin-selective recombination processes in more complex systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Trap-assisted Auger-Meitner recombination in GaN p-i-n diodes

Most properties of semiconductor devices are dominated by shallow impurities. However, deep defects often play an important role, for instance, in recombination processes or high field transport. While a variety of techniques are available to assess the density and energy levels of impurities, other properties, such as the recombination mechanisms of the defects, escape observation. We report on the direct measurement of hot electrons generated by trap-assisted Auger-Meitner recombination (TAAR) in GaN p-i-n diodes. By performing electron emission spectroscopy (EES) on diodes with surfaces activated to negative electron affinity by cesium, we observe the expected overflow electrons of p-i-n diodes under low current injection. However, when operating the devices at higher current densities, as low as ∼25 A/c⁢m 2 , we measure the emission of high-energy electrons. At variance with the observed hot electrons in light-emitting diodes (LEDs) using EES, the hot electrons generated in p-i-n diodes at our tested currents cannot be from eeh Auger-Meitner recombination due to the diodes' significantly lower carrier densities compared to those in LEDs. During our measurements, we observe the emission of accumulated electrons with energies ∼0.42 eV, ∼0.99 eV, ∼1.43 eV, and ∼2.32 eV above the conduction-band minimum (CBM) at various bias conditions, suggesting the existence of conduction-band features in GaN at these energies where electrons can be long-lived, such as satellite-valley minima and inflection points. We also measure incompletely relaxed hot electrons approaching energies 1.97 ± 0.13 eV and 2.94 ± 0.13 eV above the CBM, as the diodes are biased to high currents, suggesting at least some of the TAAR partaking defects have an energy level ≳1.97 eV and ≳2.94 eV away from either the conduction or valence band edges. Additionally, at our highest operating currents, we measure hot electrons with energies 3.28 ± 0.13 eV above the CBM, providing direct evidence of TAAR processes involving shallow impurities. This unexpected observation of TAAR in GaN p-i-n diodes spotlights the importance of further studies of defects in GaN and the necessity to incorporate the multi-phonon emission, radiative, and TAAR capture steps of defect-assisted recombination cycles into device modeling. Furthermore, this experiment demonstrates the applicability of the simplest semiconductor structures, p-i-n diodes, as a test bed to study the rich recombination physics of semiconductor materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Small-scale clumping at recombination and the Hubble tension

Despite the success of the standard ΛCDM model of cosmology, recent data improvements have made tensions emerge between low- and high-redshift observables, most importantly in determinations of the Hubble constant H 0 and the (rescaled) clustering amplitude S 8 . The high-redshift data, from the cosmic microwave background (CMB), crucially relies on recombination physics for its interpretation. In this work, we study how small-scale baryon inhomogeneities (i.e., clumping) can affect recombination and consider whether they can relieve both the H 0 and S 8 tensions. Such small-scale clumping, which may be caused by primordial magnetic fields or baryon isocurvature below kpc scales, enhances the recombination rate even when averaged over larger scales, shifting recombination to earlier times. We introduce a flexible clumping model, parametrized via three spatial zones with free densities and volume fractions, and use it to study the impact of clumping on CMB observables. We find that increasing H 0 decreases both Ω m and S 8 , which alleviates the S 8 tension. On the other hand, the shift in Ω m is disfavored by the low-z baryon-acoustic-oscillations measurements. We find that the clumping parameters that can change the CMB sound horizon enough to explain the H 0 tension also alter the damping tail, so they are disfavored by current Planck 2018 data. We test how the CMB damping-tail information rules out changes to recombination by first removing ℓ > 1000 multipoles in Planck data, where we find that clumping could resolve the H 0 tension. Furthermore, we make predictions for future CMB experiments, as their improved damping-tail precision can better constrain departures from standard recombination. Both the Simons Observatory and CMB-S4 will provide decisive evidence for or against clumping as a resolution to the H 0 tension.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Temperature dependence of vacancy/self-interstitial recombination volumes in copper

We use molecular dynamics to calculate rate coefficients for recombination of vacancies with self-interstitial atoms (SIAs) in Cu at temperatures from 300 to 700 K. From these results, we calculate vacancy/SIA recombination volumes and find that they decrease from around 290 (where is one atomic volume) at 300 K to 160 at 500 K and above. By counting the number of distinct pathways by which a stable SIA may migrate to a site of spontaneous recombination with a nearby vacancy, we find a lower bound estimate of 168 for the recombination volume. We furthermore rationalize its temperature dependence based on differences between the activation energies for recombination and SIA migration. Furthermore, our work sheds light on the fundamental nature of the recombination volume and provides information that may be incorporated into multiscale models of radiation response in solids.

36 MATERIALS SCIENCE↗