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At least 253 records · Page 14

Visible-Light Photoinitiation of (Meth)acrylate Polymerization with Autonomous Post-Conversion

Conversion plateaus rapidly in radical photopolymerizations (RPPs) following discontinuation of irradiation due to rapid termination of reactive radicals, which restricts the wider use of RPPs in applications that involve nonuniform light access including those with attenuated light transmission or irregular surfaces. Based on our recent report of a radical dark-curing photoinitiator (DCPI) that continues polymerization beyond the cessation of irradiation by enabling latent redox initiation with photo-released amine in the presence of a suitable oxidant, we developed a new DCPI with an absorption spectrum that extends well into the visible range. Our design process involved a series of computational investigations of candidate molecules, including a systematic study of substituents and their position-dependent effects on absorption characteristics, electronic transitions, and the photochemical mechanism and its associated energetics. Our quantum chemical computations identified the target compound 5,7-dimethoxy-6-bromo-3-aroylcoumarin-DMPT/BPh4 and predicted that it would facilitate the dark-curing mechanism by concurrent photo-radical generation and photo-induced release of an efficient redox reductant under visible irradiation. This reductant-tethered chromophore was then synthesized and optically characterized with UV–vis spectroscopy that revealed its strong visible-light absorption with a molar absorptivity of 5710 M–1 cm–1 at 405 nm and 50 M–1 cm–1 at 455 nm. We then demonstrated extensive dark-curing of >35% additional conversion over 25 min following brief activation of the shelf-stable one-part system by irradiation with a 455 nm LED that was ceased at 20% conversion. In contrast, shuttering irradiation of the control formulation at that same point resulted in immediate cessation of conversion, which plateaued at 20%. We determined a remarkable initiator efficiency of 2.82 that results from the additional redox-generated radicals with a 77% photo-reductant generation quantum yield. The combination of superior photo- and dark-curing efficiencies of this new visible DCPI is expected to open new application opportunities in RPP, especially those involving resins that are highly light attenuating, surfaces that possess irregular features that produce uneven irradiance, and production lines where continued dark-curing downstream of the light activation step enhances line efficiencies.

absorption spectrum↗

Conditions of coherent-phonon excitation in SrMnSb2 films and crystals

Excitation of coherent phonons has the potential to dramatically alter the electronic structure of Dirac and Weyl semimetals, enabling sub-picosecond control of their optical and electronic properties. The Dirac semimetal SrMnSb2 is a candidate for such control, with a coherent-phonon mode that is predicted to close and reopen a gap at the Dirac node. Here, through a series of ultrafast pump-probe experiments, we establish suitable samples and conditions for driving the coherent phonon to high amplitude and attempting to observe the gap’s closure. Films of SrMnSb2 grown by molecular-beam epitaxy are shown to have phononic properties matching those of bulk crystals. We find that the phonon can be strongly excited by pump pulses with wavelength near 1500 nm, which will excite a 30-nm film almost uniformly and will penetrate the arsenic capping layers that protect the films. We find that samples withstand pump pulses of fluence up to 20 mJ/cm2, and we demonstrate the potential for sequences of pulses to amplify the oscillation while suppressing other phonon modes. Armed with our new knowledge of the conditions for exciting the desired coherent phonon, future experiments will be well prepared to measure its motion and to observe phononic control of the Dirac-point gap.

Rai, Manita↗

Characterizing the plasma-induced thermal loads on a 200 kW light-ion helicon plasma source via infra-red thermography

The light-ion helicon plasma source of the Proto-MPEX linear plasma device has been recently upgraded to enable pulsed (0.5–1 s) operation up to 200 kW. The main objective of this work is to report on the plasma-induced surface heat fluxes incident on the helicon window during high power operation (60–150 kW net power) for the purpose of the design of the upcoming material plasma exposure eXperiment (MPEX). The IR imaging system and associated physics models for the extraction of surface heat fluxes are presented. Furthermore, experimental results demonstrate that the control of the plasma strike point via magnetic flux mapping and the use of dedicated limiters is effective at reducing the heat loads on the dielectric window. Moreover, it is found that the flux mapping must create a gap between the plasma and the dielectric window of at least the plasma radial decay length. Extrapolated to 200 kW net RF power, this mode of operation can reduce the power lost to the dielectric window by 33%. The results presented have direct application to the design of high-powered helicon plasma sources that operate in a steady state. Examples include linear divertor simulators such as MPEX, electric thrusters, negative ion sources for NBI and linear plasma–material interaction test stands.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Many-body chaos in the antiferromagnetic quantum critical metal

Here, we compute the scrambling rate at the antiferromagnetic (AFM) quantum critical point, using the fixed point theory found by Schlief, Lunts, and Lee. At this strongly coupled fixed point, there is an emergent control parameter $w \ll 1$ that is a ratio of natural parameters of the theory. The strong coupling is unequally felt by the two degrees of freedom: the bosonic AFM collective mode is heavily dressed by interactions with the electrons, while the electron is only marginally renormalized. We find that the scrambling rates act as a measure of the “degree of integrability” of each sector of the theory: the Lyapunov exponent for the boson $λ^{(B)}_L \sim \mathcal{O} (\sqrt{w})k_BT/ℏ$ is significantly larger than the fermion one $λ^{(F)}_L \sim \mathcal{O}(w^2)k_BT/ℏ$, where $\textit{T}$ is the temperature. Although the interaction strength in the theory is of order unity, the larger Lyapunov exponent is still parametrically smaller than the universal upper bound of $λ_L = 2πk_BT/ℏ$. We also compute the spatial spread of chaos by the boson operator, whose low-energy propagator is highly nonlocal. We find that this nonlocality leads to a scrambled region that grows exponentially fast at intermediate distances, giving an infinite “butterfly velocity” of the chaos front, a result that has also been found in lattice models with long-range interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electron-induced massive dynamics of magnetic domain walls

We study the dynamics of domain walls (DWs) in a metallic, ferromagnetic nanowire, focusing on inertial effects on the DW due to interaction with a conduction electron bath. In this work, we develop a Keldysh collective coordinate technique to describe the effect of conduction electrons on rigid magnetic structures. The effective Lagrangian and Langevin equations of motion for a DW are derived microscopically, including the full response kernel which is nonlocal in time. The DW dynamics is described by two collective degrees of freedom: position and tilt angle. The coupled Langevin equations therefore involve two correlated noise sources, leading to a generalized fluctuation-dissipation theorem (FDT). The DW response kernel due to electrons contains two parts: one related to dissipation via FDT and another reactive part. We prove that the latter term leads to a mass for both degrees of freedom, even though the intrinsic bare mass is zero. The electron-induced mass is present even in a clean system without pinning or specifically engineered potentials. The resulting equations of motion contain rich dynamical solutions and point toward a way to control domain wall motion in metals via the electronic system properties. We discuss two observable consequences of the mass, hysteresis in the DW dynamics, and resonant response to ac current.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Conformal field theories are magical

“Magic” is the degree to which a state cannot be approximated by Clifford gates. We study mana, a measure of magic, in the ground state of the Z 3 Potts model, and argue that it is a broadly useful diagnostic for many-body physics. In particular we find that the q = 3 ground state has large mana at the model's critical point, and that this mana resides in the system's correlations. Here, we explain the form of the mana by a simple tensor-counting calculation based on a MERA representation of the state. Because mana is present at all length scales, we conclude that the conformal field theory describing the three-state Potts model critical point is magical. These results control the difficulty of preparing the Potts ground state on an error-corrected quantum computer and constrain tensor network models of AdS-CFT.

1-dimensional spin chains↗

Generator coordinate method for transition-state dynamics in nuclear fission

Since its beginnings, fission theory has assumed that low-energy induced fission takes place through transition-state channels at the barrier tops. Nevertheless, up to now there is no microscopic theory applicable to those conditions. We suggest that modern reaction theory is suitable for this purpose, and propose a methodology based on a configuration-interaction framework using the generator coordinate method (GCM). Simple reaction-theoretic models are constructed with the Gaussian overlap approximation to parametrize both the dynamics within the channels and their incoherent couplings to states outside the barrier. The physical characteristics of the channels examined here are their effective bandwidths and the quality of the coupling to compound-nucleus states as measured by the transmission factor T. We also investigate the spacing of GCM states with respect to their degree of overlap. We find that a rather coarse mesh provides an acceptable accuracy for estimating the bandwidths and transmission factors. The common numerical stability problem in using the GCM is avoided due to the choice of meshes and the finite bandwidths of the channels. Here, the bandwidths of the channels are largely controlled by the zero-point energy with respect to the collective coordinate in the GCM configurations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Criticality of Two-Dimensional Disordered Dirac Fermions in the Unitary Class and Universality of the Integer Quantum Hall Transition

Two-dimensional (2D) Dirac fermions are a central paradigm of modern condensed matter physics, describing low-energy excitations in graphene, in certain classes of superconductors, and on surfaces of 3D topological insulators. At zero energy E=0, Dirac fermions with mass m are band insulators, with the Chern number jumping by unity at m=0. This observation lead Ludwig et al. [Phys. Rev. B 50, 7526 (1994)PRBMDO0163-182910.1103/PhysRevB.50.7526] to conjecture that the transition in 2D disordered Dirac fermions (DDF) and the integer quantum Hall transition (IQHT) are controlled by the same fixed point and possess the same universal critical properties. Given the far-reaching implications for the emerging field of the quantum anomalous Hall effect, modern condensed matter physics, and our general understanding of disordered critical points, it is surprising that this conjecture has never been tested numerically. In this work, we report the results of extensive numerics on the phase diagram and criticality of 2D DDF in the unitary class. We find a critical line at m=0, with an energy-dependent localization length exponent. At large energies, our results for the DDF are consistent with state-of-the-art numerical results ν IQH =2.56-2.62 from models of the IQHT. At E=0, however, we obtain ν 0 =2.30-2.36 incompatible with ν IQH . This result challenges conjectured relations between different models of the IQHT, and several interpretations are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Optical tuning of the diamond Fermi level measured by correlated scanning probe microscopy and quantum defect spectroscopy

Quantum technologies based on quantum point defects in crystals require control over the defect charge state. Here we tune the charge state of shallow nitrogen-vacancy and silicon-vacancy centers by locally oxidizing a hydrogenated surface with moderate optical excitation and simultaneous spectral monitoring. The loss of conductivity and change in work function due to oxidation are measured in atmosphere using conductive atomic force microscopy and Kelvin probe force microscopy (KPFM). We correlate these scanning probe measurements with optical spectroscopy of the nitrogen-vacancy and silicon-vacancy centers created via implantation 15–25 nm beneath the diamond surface and annealing. The observed charge state of the defects as a function of optical exposure demonstrates that laser oxidation provides a way to precisely tune the Fermi level over a range of at least 2.00 eV. We also observe a significantly larger oxidation rate for implanted surfaces compared to unimplanted surfaces under ambient conditions. Here, combined with knowledge of the electron affinity of a surface, these results suggest KPFM is a powerful, high-spatial-resolution technique to advance surface Fermi level engineering for charge stabilization of quantum defects.

36 MATERIALS SCIENCE↗

A Multiagent Deep Reinforcement Learning-Enabled Dual-Branch Damping Controller for Multimode Oscillation

Here, this study develops a multiagent deep reinforcement learning (MADRL)-enabled framework for the decentralized cooperative control of a novel dual-branch (DB) damping controller for both low-frequency oscillation (LFO) and ultralow-frequency oscillation (ULFO). It has two branches, each of which consists of a proportional resonance (PR) and a second-order polynomial that is designed to handle target oscillation modes. To improve the robustness of the controller to system uncertainties, MADRL is developed, where multiagents are centrally trained to obtain the coordinated adaptive control policy while being executed in a decentralized manner to provide the optimal parameter setting for each controller with only local states. Comparisons with the IEEE 10-machine 39-bus system demonstrate that the proposed method achieves better robustness to uncertainties, lower communication delay, and single-point failure, as well as damping control performances for both LFO and ULFO.

97 MATHEMATICS AND COMPUTING↗

Reduced Common-Mode Voltage PWM Scheme for Full-SiC Three-Level Uninterruptible Power Supply With Small DC-Link Capacitors

In this article, a pulsewidth modulation (PWM) scheme for three-level full-SiC uninterruptible power supplies is developed to achieve a high power density. Two key passive components are selected for size reduction of the ac-ac stage: common-mode (CM) EMI filter, and dc-link capacitors. To reduce the CM noise, a new vector combination is proposed based on synchronous switching among three-phases. The proposed combinations align CM voltage (CMV) to be a single pulse per switching period. Owing to the simple shape, CMV cancellation between a three-level rectifier and inverter can be maximally utilized. A transition between the three combinations can control the drift of neutral point voltage. An equivalent carrier-based implementation is developed. Second, a simple algorithm to compensate neutral point voltage fluctuation is proposed both for differential mode (DM) and CM output voltage. Low-order harmonics on three-phase currents and an additional high-frequency CM noise by misaligned switching instant can be eliminated. The proposed compensation can be implemented by a simple correction on carrier slopes and injected zero-sequence voltage. The proposed PWM scheme is verified with 20-kW full-SiC UPS switching at 60 kHz with 140 μF dc-link capacitors.

42 ENGINEERING↗

Impact of Pressure Distribution and Magnitude on the Performance of Lithium Metal Anodes

Li metal anodes are a critical battery technology due to their ability to substantially increase the energy density of Li-based batteries. It is well known that pressure greatly impacts the performance of a Li-metal anode. However, precisely how the pressure value and distribution of pressure affect performance is unclear. Furthermore, the solid-electrolyte interphase composition that forms under varying pressure distributions remains a key parameter for practical lithium metal anodes. In this work, different pressure distributions were employed by using differently shaped and oriented mechanical springs in the coin cells, resulting in varying contact points. Pressure-sensitive films were used to spatially map the pressure and correlate it to the performance. It was found that higher average pressure does not necessarily have a positive effect on performance. When high pressure is paired with poor pressure uniformity, the performance is in fact worse likely due to the current focusing effect, rendering unsatisfied cycling stability. This work points to the importance of controlling the relationship between average pressure and pressure uniformity.

25 ENERGY STORAGE↗

Scientific Data Compression for Large Scale Computational Fluid Dynamics (CFD) Simulations

This Cooperative Research and Development Agreement (CRADA) between Oak Ridge National Laboratory (ORNL) and General Electric (GE) investigated methods for reducing the size of large computational fluid dynamics (CFD) simulation datasets using scientific data compression techniques. The work focused on adapting the MultiGrid Adaptive Reduction of Data (MGARD) compression framework and integrating it with high-performance I/O and visualization tools used in CFD workflows. MGARD uses hierarchical multilevel decomposition to enable error-controlled compression of floating-point scientific data while preserving quantities of interest. During the project, MGARD compression was integrated with the ADIOS I/O framework and visualization tools such as ParaView to enable efficient storage, transfer, and analysis of simulation data. The collaboration also explored approaches for improving compression performance for CFD data defined on unstructured meshes. Results demonstrate that scientific data compression can significantly reduce storage requirements and improve data management for large-scale CFD simulations.

97 MATHEMATICS AND COMPUTING↗

GRIK phosphorylates and activates KIN10 which also promotes its degradation

The sensor kinase Sucrose Non-fermenting-1-Related Kinase 1 (SnRK1) plays a central role in energy and metabolic homeostasis. KIN10 is a major catalytic (a) kinase subunit of SnRK1 regulated by transcription, posttranslational modification, targeted protein degradation, and its subcellular localization. Geminivirus Rep Interacting Kinase 1 and 2 (GRIK1 and 2) are immediate upstream kinases of KIN10. In the transient protein expression assays carried out in Nicotiana benthamiana (N. benthamiana) leaves, GRIK1 not only phosphorylates KIN10 but also simultaneously initiates its degradation. Posttranslational GRIK-mediated KIN10 degradation is dependent on both GRIK kinase activity and phosphorylation of the KIN10 T-loop. KIN10 proteins are significantly enriched in the grik1-1 grik2-1 double mutant, consistent with the transient assays in N. benthamiana. Interestingly. Among the enriched KIN10 proteins from grik1-1 grik2-1, is a longer isoform, putatively derived by alternative splicing which is barely detectable in wild-type plants. The reduced stability of KIN10 upon phosphorylation and activation by GRIK represents a mechanism that enables the KIN10 activity to be rapidly reduced when the levels of intracellular sugar/energy are restored to their set point, representing an important homeostatic control that prevents a metabolic overreaction to low sugar conditions. Since GRIKs are activating kinases of KIN10, KIN10s in the grik1 grik2 double null mutant background remain un-phosphorylated, with only their basal level of activity, are more stable, and therefore increase in abundance, which also explains the longer isoform KIN10L which is a minor isoform in wild type is clearly detected in the grik1 grik2 double mutant.

59 BASIC BIOLOGICAL SCIENCES↗

Presence of Induced Weak Ferromagnetism in Fe-Substituted YFe x Cr 1–x O 3 Crystalline Compounds

Fe-substituted YFe x Cr 1–x O 3 crystalline compounds show promising magnetic and multiferroic properties. Here we report the synthesis and characterization of several compositions from this series. Using the autocombustion route, various compositions (x = 0.25, 0.50, 0.6, 0.75, 0.9, and 1) were synthesized as high-quality crystalline powders. In order to obtain microscopic and atomic information about their structure and magnetism, characterization was performed using room temperature X-ray diffraction and energy dispersion analysis as well as temperature-dependent neutron diffraction, magnetometry, and 57 Fe Mössbauer spectrometry. Rietveld analysis of the diffraction data revealed a crystallite size of 84 (8) nm for YFeO 3 , while energy dispersion analysis indicated compositions close to the nominal compositions. The magnetic results suggested an enhancement of the weak ferromagnetism for the YFeO 3 phase due to two contributions. First, a high magnetocrystalline anisotropy was associated with the crystalline character that favored a unique high canting angle of the antiferromagnetic phase (13°), as indicated by the neutron diffraction analysis. This was also evidenced by the high magnetic hysteresis curves up to 90 kOe by a remarkable high critical coercivity value of 46.7 kOe at room temperature. Second, the Dzyaloshinskii–Moriya interactions between homogenous and heterogeneous magnetic pairs resulted from the inhomogeneous distribution of Fe 3+ and Cr 3+ ions, as indicated by 57 Fe Mössbauer studies. Together, these results point to new methods of controlling the magnetic properties of these materials.

36 MATERIALS SCIENCE↗

Modeling a divertor with mid-leg pumping for high-power H-mode scenarios in DIII-D considering E x B drift flows

Edge-plasma simulations of a baffled, long-legged divertor in DIII-D, performed using the multi-fluid code UEDGE, indicate that the position of the detachment front is constrained to the location of the pump duct along the low-field side (LFS) baffle. Simulations including magnetic and E x B drifts were performed for 12.5 MW deuterium plasmas including intrinsic carbon and seeded neon to assess the optimal location of the LFS divertor pump to create a stable detachment front between the target and the X-point. The radiation front position in the simulations, taken to be indicative of the detachment front, can be controlled between the pump and X-point in the favorable magnetic field direction for H-mode access by moving the pump duct location upstream of the target along the LFS baffle. In the unfavorable magnetic field direction, the radial E θ x B drift flows are directed towards the pumping surface, efficiently removing the injected deuterium gas and limiting the sensitivity of the radiation front location to the gas injection rate. The role of pumping rate and drift direction on the pumping efficiency are also found to affect the divertor plasma conditions and detachment front location in UEDGE simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

“Tailing” Phenomenon During Polymer Propagation at The Milne Point Polymer Flood

Chemical flooding simulators traditionally assume that polymer retention follows the Langmuir isotherm, while fractional-flow calculations assume concentration-independent retention. Both models predict a delay in propagation of the polymer front (in proportion to the retention value), followed by a rapid rise in produced polymer concentration to the injected level. In contrast, laboratory retention studies for the Milne Point polymer flood (North Slope of Alaska) consistently show virtually no delay in polymer propagation, a rapid rise in produced polymer to 70-90% of the injected concentration, followed by produced concentration gradually approaching the injected value over many pore volumes. From a practical viewpoint, this behavior means that retention causes no significant delay in propagation of the polymer bank (and therefore the oil bank), but the effective viscosity and displacement efficiency are less than originally planned. This paper explores why this polymer “tailing” phenomenon occurs. During core floods, effluent was analyzed for brine-tracer concentration, viscosity, total organic carbon, and total nitrogen. The latter three items allowed three independent measures of polymer concentration and polymer retention. Experiments were performed with Milne Point core material, oil, brine, and conditions. Mechanistic experiments were also performed with packs of glass beads with controlled levels of various minerals. In Milne Point cores, the presence of the tailing phenomenon was not sensitive to flow rate, polymer concentration, core heterogeneity, or whether the core was preserved, cleaned of oil, or cleaned and resaturated with oil, or cleaned, re-saturated and aged with oil. The three independent measures of polymer concentration confirmed that the tailing phenomenon was not an artifact associated with polymer degradation or detection interferences. Tailing was also observed during mechanistic floods using glassbead packs when sufficient levels of illite or kaolinite were present. This observation was consistent with high levels of illite noted in Milne Point cores. The tailing was not noted during mechanistic floods that contained beads with montmorillonite, chlorite, calcium carbonate, dolomite, siderite, pyrite, or calcium sulfate. A model is proposed to account for the tailing phenomenon. This work suggests that mineralogy analysis (especially for illite and kaolinite) may reveal whether tailing should be accounted for during simulations of polymer propagation/retention in a given field application.

Seright, Randy↗

Development of a Test-Bed for Testing and Refining EarthEn’s Supercritical CO 2 Based Energy Storage System

EarthEn’s energy storage concept leverages supercritical carbon dioxide (sCO 2 ) as a working fluid and relies on compact, high-performance components operating at elevated pressures and temperatures. To accelerate component development and reduce technical risk prior to larger-scale demonstrations, Oak Ridge National Laboratory (ORNL) developed a 100 kW-scale sCO 2 test-bed under a Cooperative Research and Development Agreement with EarthEn (CRADA NO. NFE-24-10050). The objective of the work was to design and construct a flexible experimental facility capable of reproducing key thermodynamic state points and heat-transfer conditions relevant to EarthEn’s thermal energy storage (TES) cycle, with particular emphasis on enabling development and evaluation of next-generation heat exchangers and TES concepts. The test-bed consists of a closed-loop sCO 2 circulation system housed within an open-topped enclosure. In its as-installed configuration, dense-phase sCO 2 is recirculated through a printed circuit recuperator, an electrically heated section, a throttling device used to simulate turbine expansion, and a water-cooled printed circuit heat exchanger that rejects heat to the building chilled-water system before returning to the pump. The pump is driven by a variable frequency drive, enabling controlled adjustment of flow and operating point. A comprehensive instrumentation suite was integrated to support both safe operation and high-quality data collection. Installed sensors include Coriolis flow meters for sCO 2 flow rate and density, resistance temperature detectors and thermocouples distributed throughout the loop (including the heated section and key heat exchanger ports), and pressure transducers for absolute and differential pressure measurements. The facility was designed to support high-pressure (19 MPa nominal) and high-temperature (575°C nominal) operation with credited overpressure protection provided by a rupture disk. Nominal operating conditions were selected to support 100 kW-class testing while maintaining flexibility for non-heated and heated shakedown, control development, and future integration of advanced TES test sections. In parallel with facility development, a system-level thermal-hydraulic model was created using Modelica-based tools to support component sizing, anticipate performance over targeted test conditions, and establish a framework for future model calibration against experimental data. At the conclusion of the project performance period, the facility was in final assembly, and the pressure boundary was nearly completed. However, several practical challenges associated with high-pressure/high-temperature systems and specialized component procurement impacted schedule and prevented initial pump-driven operation and full commissioning within the available resources. This report documents the as-built design, operating capabilities, and instrumentation, and it summarizes key lessons learned related to heater fabrication and testing, first-of-a-kind assembly factors, specialty flange supply constraints, and fill pump corrective actions. Finally, it outlines a phased plan for future commissioning and experimental campaigns, including control and instrumentation shakedown, heater characterization, model calibration, and testing at state points representative of EarthEn’s TES cycle.

25 ENERGY STORAGE↗