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At least 1,495 records · Page 83

Absence of hydrogen insertion into highly crystalline superconducting infinite layer nickelates

Here, the discovery of superconductivity in the infinite layer nickelates introduced a materials system analogous to the cuprates for the study of unconventional superconductivity. The synthesis of infinite layer nickelates, (RNiO 2 , R = lanthanide) often uses calcium hydride (CaH 2 ) to facilitate the deintercalation of apical site oxygen atoms from a precursor perovskite (RNiO 3 ) phase via topotactic reduction. However, it remains uncertain whether the use of CaH 2 results in the insertion of hydrogen into the infinite layer structure, and if it does, what the implications are for superconductivity. To quantify the hydrogen composition of highly crystalline infinite layer nickelates, we synthesized Nd 1-x⁢ Sr x ⁢NiO 2 thin films on LSAT substrates and conducted time-of-flight secondary ion mass spectroscopy measurements to generate hydrogen depth profiles. We compare the hydrogen density of nickelates prepared with and without a SrTiO 3 capping layer. Additionally, we measure the hydrogen content in nickelate samples at various doping levels spanning the superconducting phase space, including the underdoped, optimally doped, and overdoped regime. We report no significant increase in hydrogen density between the perovskite and infinite layer phases in any of the measured samples. Furthermore, we put an upperbound on the hydrogen concentration of our nickelate samples to Nd 1-x Sr x ⁢NiO 2 ⁢H 0.05 . Our results imply that hydrogen is not responsible for the emergence of superconductivity in the infinite layer nickelates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Review—Electrolytic Metal Atoms Enabled Manufacturing of Nanostructured Sensor Electrodes

Sensing materials play a key role in the successful implementation of electrochemical sensors, and nanotechnology has emerged as an important and rapidly growing field for stimulating the innovation of high-performance sensors. The fabrication, characterization, and evaluation of the nanostructured electrodes are therefore a focus of this field. Compared to a variety of dry and wet technologies which have been extensively developed for this purpose, electrochemical methods are typically convenient, highly effective, and potentially low-cost for the production of different nanostructures. This minireview is designed to introduce a unique electrochemical method - electrolytic metal-atom enabled manufacturing (EM 2 ) and its application in electrochemical sensors. The EM 2 technique employs electrolytic metal atoms generated from their corresponding salt precursor as a tool to nanostructure a wide range of substrate electrodes used in electrochemical sensors, based on a one-pot electrochemical deposition and dissolution of the metal atoms in the same electrolyte bath. Briefly, the metal atoms are electrodeposited on a substrate electrode during the cathode reduction, and they are selectively removed from the substrate during the subsequent anode oxidation. Because of the interactions between the electrolytic metal atoms and the substrate atoms, the repetitive electrodeposition and dissolution of the former on the substrate enable the nanostructuration of the substrate, particularly within its surface layers. The nanostructured electrodes have demonstrated very attractive performance for the determination of numerous analytes, such as high sensitivity and selectivity, high interference tolerance, and low detection limits. However, the EM 2 technique and the application of the resulting nanostructured electrodes in electrochemical sensors and beyond have still been very limitedly investigated. In order to bring the community from academic, industries, agencies, and customers together to develop the EM 2 technique and advance electrochemical sensor systems, this minireview will introduce the thermodynamic and kinetic fundamentals of this technique, the characterization of resulting nanostructures, the analysis of their electrochemical behavior, and the implementation of this technique for the development of advanced sensor electrodes. Finally, an outlook with a focus on further research areas is provided.

Jiang, Junhua (ORCID:0000000324379812)↗

Development of Quantum Interconnects (QuICs) for Next-Generation Information Technologies

Just as “classical” information technology rests on a foundation built of interconnected information-processing systems, quantum information technology (QIT) must do the same. A critical component of such systems is the “interconnect,” a device or process that allows transfer of information between disparate physical media, for example, semiconductor electronics, individual atoms, light pulses in optical fiber, or microwave fields. While interconnects have been well engineered for decades in the realm of classical information technology, quantum interconnects (QuICs) present special challenges, as they must allow the transfer of fragile quantum states between different physical parts or degrees of freedom of the system. The diversity of QIT platforms (superconducting, atomic, solid-state color center, optical, etc.) that will form a “quantum internet” poses additional challenges. As quantum systems scale to larger size, the quantum interconnect bottleneck is imminent, and is emerging as a grand challenge for QIT. For these reasons, it is the position of the community represented by participants of the NSF workshop on “Quantum Interconnects” that accelerating QuIC research is crucial for sustained development of a national quantum science and technology program. Given the diversity of QIT platforms, materials used, applications, and infrastructure required, a convergent research program including partnership between academia, industry, and national laboratories is required.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Breaking Boundaries: Deformation Processing Techniques for the Next Generation of Lightweight and High-Strength Materials

This chapter emphasizes the importance of solid phase processing (SPP) techniques in developing advanced materials for lightweight and high-strength applications. SPP methods like friction stir welding, and shear-assisted processing can create new microstructures and process materials in novel ways. SPP can enhance mechanical performance via various strengthening mechanisms like solid solution supersaturation, Hall-Petch and Orowan effects, and misorientation angle grain boundaries. The potential for in situ alloying or joining of components with near-net shape and low energy inputs, even for immiscible systems with high enthalpies of mixing, is also discussed. The chapter explores the concept of metastability through microstructural manipulation and the role of advanced characterization for atomistic understanding. The formation of metastable grain, shear-driven chemical mixing, and transformation pathways are also discussed. Finally, the emerging trends for SPP and the challenges that need to be addressed before realizing the full potential of these techniques are presented.

Lastovich, Michael↗

Active magnetic regenerative cooling with smaller magnets

Magnetocaloric heat pumping near room temperature, a.k.a. magnetic cooling, relies on the active regenerator cycle to achieve functional temperature spans and realize economic and societal benefits promised by this emerging solid-state cooling technology. The cycle itself depends upon synchronizing oscillating flow of a heat transfer fluid through a solid porous active material matrix, or the refrigerant, with periods when the refrigerant is in the highest available (field-on) and in nearly zero (field-off) magnetic fields to accomplish heat transfer. With this in mind, in this work we analyze varying flow and magnetic field wave forms and the timing between when the fluid is pumped and when the magnetic field is turned on and off. We demonstrate that the volume and the cost of permanent magnet generating the field changes can be cut nearly in half with little to no effect on the device temperature span and cooling power normalized by the refrigerant mass.

36 MATERIALS SCIENCE↗

In-situ irradiation of uranium carbide

Uranium carbide (UC) is a leading candidate fuel for Generation IV reactors due to its high uranium density and thermal conductivity. However, its irradiation performance—particularly gas bubble swelling and defect dynamics—remains poorly characterized. Using in-situ transmission electron microscopy (TEM), we irradiated UC with 300 keV Xe + and 1 MeV Kr 2+ ions at temperatures up to 900 °C to quantify swelling behavior and dislocation loop evolution. The swelling remained below 0.6 % across all temperatures, suggesting the dimensional stability of UC under irradiation at these temperatures. Dislocation loops grew faster in UC than in UO 2 or UN, correlating with its lower homologous temperature. Notably, nanograin structures emerged in thin regions of the lamellar, mirroring phenomena previously observed in UO 2 and ZrC. These results address critical knowledge gaps in the radiation tolerance of UC and provide insight into its suitability for advanced reactor systems.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Networked Microgrid Operations: Supporting a Resilient Electric Power Infrastructure

Modern electric power systems operate using large generating units managed with a centralized control structure. The current systems are the result of over a hundred years of technological development and consolidation to leverage economies of scale. While the existing systems have proven cost effective and reliable, modern systems are experiencing a wide range of operational challenges that are causing a reexamination of the centralized control structure. Despite the nearly universal adoption of centralized control, electric power systems are fractal in their operational requirements. Specifically, the fundamental operational requirements are the same, regardless of the system size. While past technologies have not allowed for exploitation of this fractal behavior, emerging technologies are making it possible; these technologies include grid-forming inverters, modern telecommunications systems, and distributed control architectures. Here we show emerging technologies that allow the fractal operational requirements of electric power systems to be exploited as networked microgrids to increase the resiliency of the world’s critical electrical infrastructure.

Schneider, Kevin P.↗

IoT Devices and Applications for Wire-Based Hybrid Manufacturing Machine Tools

Hybrid manufacturing machine tools have the potential to be a disruptive technology as they can leverage the benefits of both additive and subtractive manufacturing by incorporating both processes on the same machine while limiting the downsides of the individual processes. Since these machines use two very disparate manufacturing processes and hybrid manufacturing is an emerging technology, it will be useful to monitor data coming from the machine and apply it to improve the manufacturing process, the operation of the machine, and to integrate the machine into the larger digital framework of Industrial Internet of Things (IoT). The present work discusses IoT devices that would be beneficial to add to a hybrid machine tool as well as applications for those devices. The proposed methods discussed in this work have not been experimentally implemented on a hybrid machine tool and so there are no performance data available yet. The hybrid machine tool used as a basis to generate these IoT applications is the Mazak VC-500A/5x AM Hot Wire Deposition, which is a 5-axis machine tool incorporated with a wire feedstock 4kW laser deposition system. Methodologies and applications will be outlined for machine health and process monitoring. Other areas covered include process benchmarking, secure networking options for the proposed IoT framework, and hybrid process improvement. Limitations of these methods and future work for new sensor devices and application areas is also discussed.

Thien, Austen↗

Technical Assessment of Potential Climate Impact and Economic Viability of Biochar Technologies for Small-Scale Agriculture in the Pacific Northwest

The goal of this study is to evaluate the state of biochar technology and determine the feasibility of integrating small-scale biochar production in ways that benefit smaller, diversified producers. Because of the emergence of carbon markets, this innovative climate and agricultural solution may be financed externally, making biochar more accessible to the growers that could benefit. In this report, we review the current state of biochar technology (Section 2), methods for assessing the potential climate impacts derived from its implementation (Section 3), and the current state of carbon-offset mechanisms for biochar technology (Section 4). In Section 5, we apply this knowledge to several specific biochar technology scenarios involving combinations of different feedstocks, production methods, and economic incentives to arrive at estimates of climate-mitigation impacts and costs per carbon credit generated. We conclude with a summary in Section 6.

09 BIOMASS FUELS↗

The Emission and Suppression of Line Features in Luminous Transients

Featureless optical and ultraviolet (UV) spectra are a puzzling signature to emerge from recent observations of luminous fast blue optical transients (LFBOTs) and some tidal disruption events (TDEs). We describe the landscape of source and gas properties that are expected to form H, He I , and He II emission lines, and map spectral types to the parameter space of luminosity and system radius. Using one-dimensional radiative transfer calculations, we show that high source luminosities (L > 10 44 erg s −1 ) and compact ejecta radii (r < 10 14 cm) produce featureless spectra, due to the high temperature and ionization state of the emitting medium. Intermediate luminosities and moderately compact systems can generate He II -dominated spectra, while lower luminosities and more extended atmospheres result in conspicuous H and He I emission. Large expansion velocities (v ≥ 0.1c) can further broaden lines such that they blend into the continuum. Featureless UV spectra may require even more extreme ionization environments or velocities in order to suppress the many intrinsically strong metal lines at those wavelengths. Applying this framework to understand the absence of features observed in LFBOTs and featureless TDEs, we find that, under the optically thick, quasi-thermal conditions considered here, nonhomologous, compact outflows are likely necessary for featurelessness to persist in optical and UV spectra.

Aspegren, Olivia [University of California, Berkel↗

Snowmass 2021 Whitepaper: Proton Structure at the Precision Frontier

An overwhelming number of theoretical predictions for hadron colliders require parton distribution functions (PDFs), which are an important ingredient of theory infrastructure for the next generation of high-energy experiments. This whitepaper summarizes the status and future prospects for determination of high-precision PDFs applicable in a wide range of energies and experiments, in particular in precision tests of the Standard Model and in new physics searches at the high-luminosity Large Hadron Collider and Electron–Ion Collider. We discuss the envisioned advancements in experimental measurements, QCD theory, global analysis methodology, and computing that are necessary to bring unpolarized PDFs in the nucleon to the N2LO and N3LO accuracy in the QCD coupling strength. Special attention is given to the new tasks that emerge in the era of the precision PDF analysis, such as those focusing on the robust control of systematic factors both in experimental measurements and theoretical computations. Various synergies between experimental and theoretical studies of the hadron structure are explored, including opportunities for studying PDFs for nuclear and meson targets, PDFs with electroweak contributions or dependence on the transverse momentum, for incisive comparisons between phenomenological models for the PDFs and computations on discrete lattice, and for cross-fertilization with machine learning/AI approaches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Data for Mitochondrial ATP Generation is More Proteome Efficient than Glycolysis

Metabolic efficiency profoundly influences organismal fitness. Heterotrophs, from yeast to mammals, derive usable energy primarily through glycolysis and respiration. While respiration is more energy-efficient, some cells favor glycolysis even when oxygen is available (aerobic glycolysis, Warburg effect). A leading explanation is that glycolysis is more efficient in terms of ATP production per unit mass of protein (i.e. faster). Through quantitative flux analysis and proteomics, we find however that mitochondrial respiration is actually more proteome-efficient than aerobic glycolysis. This is shown across yeasts, T cells, cancer cells, and tissues and tumors in vivo. Instead of aerobic glycolysis being valuable for fast ATP production, it correlates with high glycolytic protein expression, which is valuable for hypoxic growth. Aerobic glycolytic yeasts do not excel at aerobic growth, but outgrow respiratory cells in oxygen limitation. Thus, aerobic glycolysis emerges from cells maintaining a proteome conducive to both aerobic and hypoxic growth.

Metabolomics↗

Scaling Equitable Finance

Driven by dramatic declines in up-front cost, the U.S. solar photovoltaics (PV) industry has taken off over the past decade, growing from 1 gigawatt of installed capacity in 2009 to 89 gigawatts in 2020—or enough capacity to power roughly 19 million homes. The industry is expected to double in size over just the next 5 years.1 Much of the growth has been driven by large, utility-scale projects that can produce 5 mega- watts or more of power—enough to power at least 1,000 homes. The cost of electricity produced by these projects has decreased by more than 70 percent since 2010. As of Q3 2020, development costs of large, util- ity-scale solar PV power plants were under $1 per watt, down by more than 70 percent from 2010.2 A robust array of investors has come forward to efficiently deliver capital to these kinds of utility-scale projects including large banks, insurance companies, pension funds, and others. But low- and moderate-income communities, including communities of color, are at risk of being left behind in the transition to clean energy. Mission- driven solar project developers and financial institu- tions have been working alongside energy justice advocates to open up solar access for these communi- ties, using strategies ranging from community solar, to solar installations on affordable multifamily housing, to distributed solar and storage programs, and more. Their goals go beyond simply generating more green energy to advancing social equity by: • empowering communities to control their energy future • stabilizing energy prices, saving money, and build- ing wealth for low-income families • creating quality jobs • improving health by reducing pollution • providing energy resilience for vulnerable communities Mission-driven actors are successfully deploying a wide variety of strategies to meet these goals, from helping low-income homeowners get solar—and some- times battery storage, to developing solar projects serv- ing affordable rental housing and community facilities, to building larger “shared solar” projects to which households from across the community can subscribe. However, the financing ecosystem does not work nearly as well for these “mission driven” solar proj- ects as it does for utility-scale projects. For home rooftop solar, even if low-income consumers have a home and suitable roof, they may fail to qualify for federal tax incentives, lack adequate credit to qualify for a loan—or the mission-driven lenders seeking to serve them may not be adequately capitalized to make long-term loans. For mission-driven commercial or community-scale projects, assembling nearly every component of the project capital stack—whether bridging early-stage costs, attracting tax credit equity investors, securing long-term debt, or coming up with sponsor equity and filling gaps—can present challenges. A variety of obstacles contribute to the scarcity of financing for low-income solar, including small project sizes, lack of developer balance sheet capacity, both real and perceived issues with credit risk, elevated technical assistance needs, and greater subsidy requirements to pursue goals such as deep energy affordability, climate resilience, or job creation. Still other obstacles are regulatory: for example, not all states allow community solar projects or Power Purchase Agreements, common strategies used for providing low-income solar—and the potential for regulations to shift over time creates risks that mission-driven projects can ill afford. This report synthesizes information garnered from 47 key informant interviews, four focus group discus- sions involving 60 stakeholders, and a review of the substantial existing literature on low-income solar finance to assess the current landscape of mission- driven solar development in the United States, examine the roles that community-based financial institutions could play, and recommend public invest- ments and policy changes that could help to scale the provision of equitable solar finance. Key recommen- dations for policymakers and funders in the renew- able energy and community development fields that emerge from this process include the following: • Help to capitalize and support community-based lenders to provide flexible, low-cost, and long- term financing to mission-driven solar projects— including providing guarantees or other forms of credit enhancement. • Provide federal support for equitable solar, including a grant-in-lieu-of-credits option for the Investment Tax Credit to improve access to this critical government subsidy. • Develop pools of government and philanthropic support that can complement financing from community-based lenders to complete the capi- tal stack for mission-driven projects, as well as to support education and technical assistance to both consumers and potential project sponsors. • Create a national Renewable Energy Credits pro- gram that includes social equity targets to provide a baseline of support for clean energy generation. • Change utility regulations to remove barriers to low-income solar projects; lower permitting costs; provide greater certainty for developers, consumers and owners; and measure progress toward equity in renewable energy policy implementation.

14 SOLAR ENERGY↗

Two-dimensional patterning of mesoscale fibers using acoustophoresis

The performance of functional composites can rely critically on the arrangement of secondary phases; for example, patterned networks of conductive particles can impart anisotropic thermal, electric or ionic conductivity while preserving flexibility in the matrix. We demonstrate the use of standing acoustic waves to generate periodic patterns of short fibers. We extend the range of possible patterns with the first demonstration of both rectangular grids and arrays of octagons interspersed with rectangles. These newly demonstrated patterns are rationalized using theoretical models of acoustic forces and torques on fibers that account for two-dimensional spatial variations arising from applied acoustic fields. The models enable simulations of fiber motion, which are used to (i) map out final fiber positions as a function of initial position and orientation, and (ii) corroborate experiments visualizing fiber motion and final patterns. This approach provides a fast and accurate way to predict emergent fiber patterns as a function of excitation modality and fiber length. The theory and experiments clearly indicate strong coupling between the length of the fibers and the spacing of the acoustic nodes. Furthermore, this coupling is used to estimate reductions in percolation thresholds associated with the ratio of fiber length and acoustic wavelength.

25 ENERGY STORAGE↗

Probabilistic Multi-Hazard Performance Assessment of Concrete Structures in Nuclear Installations

Concrete structures in nuclear installations are subject to time-dependent degradation mechanisms that can deteriorate their physical and mechanical properties, potentially exacerbating the risk of structural failure under external forces such as a seismic event. Previous research has extensively investigated the seismic response of nuclear concrete structures and the associated risk, as well as their effect on structural components safety margins. However, substantial work is still necessary to incorporate concrete aging effects into such evaluations. In fact, most models in the literature assume pristine concrete conditions and do not account for the impact of aging on the structural components’ fragility curves. This work identifies relevant time-dependent degradation mechanisms and provides simplified models to predict the the evolution of key material properties based on data from the literature. Namely, this work focuses on the aging effects of corrosion, alkali–silica reaction (ASR), and irradiation on reinforced concrete within US Department of Energy (DOE) nuclear facilities and nuclear power plants (NPP) structures. Furthermore, degradation models based on literature data are presented that define the relationship between probabilistic material properties and the concrete’s age. In this work, sampled material properties served as input for a simplified finite element model (FEM) of a critical nuclear structural system, with the output of the FEM being the seismic response for a given ground motion. The results of the FEM were then used within a probabilistic performance assessment with a statistically significant number of samples. The research presented herein addresses the detrimental effects of hazards caused by natural phenomena on deteriorated concrete elements of nuclear installations. This work directly benefits the safety analysis performed on US DOE/ National Nuclear Security Administration (NNSA) nuclear facilities located in areas prone to seismic activity. The results presented herein could aid in the improvement of DOE-STD-1020, the DOE Standard that addresses seismic risk analysis and capacity evaluation in DOE facilities. DOE-STD-1020 refers to the requirements in American Society of Civil Engineers (ASCE) 4-98, now superseded by ASCE 4-16, that shall be met in performing dynamic response analyses and generating in-structure response spectra, provided that such requirements are consistent with the requirements of ASCE/Structural Engineering Institute (SEI) 43-05. Moreover, the results presented herein could also aid in the updating of section C3.1.1. of ASCE 4-16 to account for the effects of aging on the stiffness of reinforced elements and American Concrete Institute (ACI) 349.3R-18, “Report on Evaluation and Repair of Existing Nuclear Safety-Related Concrete Structures.” Ultimately, this work can assist the risk assessment of potential lifetime extension of the existing US commercial nuclear fleet (light water reactors) and the safety analysis of the emerging advanced nuclear reactors. The proposed proof-of-concept methodology employs open-source DOE computational tools and is transferable to commercial software commonly used by engineering firms.

42 ENGINEERING↗

Piezocatalytic ZnS:Mn 2+ Nanocrystals for Enhanced Organic Dye Degradation

Piezocatalysis, an emerging approach that harnesses mechanical energy to drive chemical reactions, has garnered significant attention due to its potential applications in diverse fields, particularly in environmental remediation. Its broader application, however, is often hindered by the low efficiency of existing piezocatalytic materials. Here, we report the synthesis of Mn 2+ -doped ZnS nanocrystals with improved piezoelectric properties using an emulsion-based colloidal assembly technique. Through well-controlled Mn 2+ doping, these nanocrystals demonstrate high piezocatalytic activity for degrading organic dyes under ultrasonic vibration. The optimal performance is achieved with 3% Mn 2+ doping, outperforming many existing piezocatalysts. Mechanistic studies reveal the generation of reactive oxygen species as the primary driving force for degradation. Notably, pre-excitation with UV light further boosts the piezocatalytic efficiency of these metal ion-doped ZnS nanocrystals by filling electron trap states, leading to improved overall performance. This research paves the way for developing high-performance piezocatalysts, expanding the potential of piezocatalysis for a wide range of applications.

36 MATERIALS SCIENCE↗

Infrared Spectroscopic Observation of Oxo- and Superoxo-Intermediates in the Water Oxidation Cycle of a Molecular Ir Catalyst

Molecular Ir catalysts have emerged as an important class of model catalysts for understanding structure–activity relationships in water oxidation, a reaction that is central to renewable fuel synthesis. Prior efforts have mostly focused on controlling and elucidating the emergence of active species from prepared precursors. However, the development of efficient and stable molecular Ir catalysts also necessitates probing of reaction intermediates. To date, relatively little is known about the key intermediates in the cycles of the molecular Ir catalysts. Herein, we probed the catalytic cycle of a homogeneous Ir catalyst (“blue dimer”) at a Au electrode/aqueous electrolyte interface by combining surface-enhanced infrared absorption spectroscopy (SEIRAS) with phase-sensitive detection (PSD). Cyclic voltammograms (CVs) from 1.4 to 1.7 VRHE (RHE = reversible hydrogen electrode) give rise to a band at ~818 cm –1 , whereas CVs from 1.4 to ≥1.85 VRHE generate an additional band at ~1146 cm –1 . Isotope labeling experiments indicate that the bands at ~818 and ~1146 cm –1 are attributable to oxo (Ir V =O) and superoxo (Ir IV –OO • ) moieties, respectively. Furthermore, this study establishes PSD-SEIRAS as a sensitive tool for probing water oxidation cycles at electrode/electrolyte interfaces and demonstrates that the relative abundance of two key intermediates can be tuned by the thermodynamic driving force of the reaction.

25 ENERGY STORAGE↗

Quantum Emitter Formation Dynamics and Probing of Radiation-Induced Atomic Disorder in Silicon

Near-infrared color centers in silicon are emerging candidates for on-chip integrated quantum emitters, optical-access quantum memories, and sensing. We access ensemble G-color-center formation dynamics and radiation-induced atomic disorder in silicon for a series of megaelectronvolt proton-flux conditions. The photoluminescence results reveal that the G centers are formed more efficiently by pulsed-proton irradiation than by continuous-wave proton irradiation. The enhanced transient excitations and dynamic annealing within nanoseconds allows optimization of the ratio of G-center formation to nonradiative defect accumulation. The G centers preserve narrow line widths of about 0.1 nm when they are generated by moderate pulsed-proton fluences, while the line width broadens significantly as the pulsed-proton fluence increases. This implies vacancy or interstitial clustering by overlapping collision cascades. The tracking of G-center properties for a series of irradiation conditions enables sensitive probing of atomic disorder, serving as a complementary analytical method for sensing damage accumulation. Aided by ab initio electronic structure calculations, we provide insight into the atomic disorder induced inhomogeneous broadening by introducing vacancies, silicon interstitials, and oriented strain fields in the vicinity of a G center. A vacancy leads to a tensile strain and can result in either a red shift or a blue shift of the G-center emission, depending on its position relative to the G center. Meanwhile, Si interstitials lead to compressive strain, which results in a monotonic red shift. In conclusion, high-flux and tunable ion pulses enable the exploration of the fundamental dynamics of radiation-induced defects as well as methods for the optimization of G-center formation and qubit synthesis for quantum information processing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗