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Carbon doping in GeTe drives differences in local structure and properties

Advances in low-power, energy-efficient information storage and computing require understanding and controlling the atomic and nanoscale structures of functional materials, such as phase-change materials. Phase-change memory technology enables nonvolatile, low-power memory in devices by storing information through reversible changes in a phase-change material's atomic structure (i.e., transformations between amorphous and crystalline phases) that have corresponding changes in properties, including electronic resistivity and optical reflectivity. Here, we apply complementary X-ray absorption spectroscopy and X-ray pair distribution function analyses to experimentally identify the local- and medium-range atomic structure differences of GeTe and C-doped GeTe thin films. Upon controlled heating, composition- and temperature-dependent atomic structure evolution in GeTe and C-doped GeTe films shows differences in bonding behavior and local structure that directly influence crystallization onset temperature. We find that the introduction of C interrupts Ge–Ge bonds in amorphous GeTe, altering the as-deposited structure to be more similar to the distorted rocksalt structure of crystalline α–GeTe. The change alters the response of the amorphous atomic structure to heating and also lowers the crystallization onset temperature, from 230 °C in GeTe to 220 °C in the C-doped film. The combined insights from both X-ray techniques provide understanding of structural transformations that enables the development and optimization of next-generation memory and computing materials.

36 MATERIALS SCIENCE↗

The Behavior of Total Lightning Activity in Severe Florida Thunderstorms

The development of a new observational system called LISDAD (Lightning Imaging Sensor Demonstration and Display) has enabled a study of severe weather in central Florida. The total flash rates for storms verified to be severe are found to exceed 60 flashes/min, with some values reaching 500 flashes/min. Similar to earlier results for thunderstorm microbursts, the peak flash rate precedes the severe weather at the ground by 5-20 minutes. A distinguishing feature of severe storms is the presence of lightning "jumps"-abrupt increases in flash rate in advance of the maximum rate for the storm. ne systematic total lightning precursor to severe weather of all kinds-wind, hail, tornadoes-is interpreted in terms of the updraft that sows the seeds aloft for severe weather at the surface and simultaneously stimulates the ice microphysics that drives the lightning activity.

Williams, Earle↗

Through-thickness recrystallization characteristics of a laminated AA3xxx–AA6xxx aluminum alloy system

The through-thickness annealing behavior of a laminated AA3xxx–AA6xxx alloy system at 300 °C has been studied by scanning electron microscopy, electron backscatter diffraction analysis, electron probe micro-analysis, differential scanning calorimetry, and hardness measurement. Results show that the recrystallization process starts at the interface region between the AA3xxx (clad) and AA6xxx (core) layers. Subsequently, the recrystallization process front progresses into the core layer, while the clad layer is the last region to recrystallize. It is also found that precipitation precedes recrystallization in the entire laminate at the investigated temperature. The preferential onset of recrystallization at the interface region is attributed to the net driving pressure being the highest in this region. The factors that lead to such enhanced net driving pressure are (a) deformation incompatibility between the two alloy layers, (b) lower solute content of the interface, which also leads to lower volume fraction of precipitates, and (c) an accelerated rate of precipitate coarsening due to the presence of a higher density of dislocations. The gradual progress of recrystallization from the interface towards the core layer is dictated by precipitate coarsening and the dependence of its rate on the density of deformation-induced dislocations. The lower driving pressure due to lower work hardening capacity, high solute drag pressure due to Mn, and additional Zener drag from precipitates that form due to solute redistribution during annealing explain the late initiation of recrystallization in the clad layer. - Highlights: • The through-thickness recrystallization of a laminated system is investigated. • The early onset of recrystallization at the interface is discussed. • The effects of precipitation and coarsening on recrystallization are analyzed.

36 MATERIALS SCIENCE↗

Gapped commensurate antiferromagnetic response in a strongly underdoped model cuprate superconductor

It is a distinct possibility that spin fluctuations are the pairing interactions in numerous unconventional superconductors. In the high-transition-temperature (high-T c ) cuprates, superconductivity emerges upon doping antiferromagnetic Mott insulators, and spin fluctuations might furthermore drive unusual pseudogap phenomena. Here we use magnetic neutron scattering to study the highly underdoped cuprate HgBa 2 CuO 4+δ (hole concentration p ≈ 0.064). In contrast to prior results for other underdoped cuprates, we find no evidence of incommensurate magnetic order associated with spin-density-wave or stripe correlations. Instead, the antiferromagnetic response in both the superconducting and pseudogap states is gapped below Δ AF ≈ 6 meV, commensurate over a wide energy range, and disperses above about 55 meV. Given the pristine nature of HgBa 2 CuO 4+δ , which exhibits high structural symmetry and minimal point disorder effects, this behavior likely signifies the unmasked response of the underlying CuO 2 planes near the Mott-insulating state. These results serve as a benchmark for a refined theoretical understanding of the cuprates.

Materials science↗

Planning for rover opportunistic science

The Mars Exploration Rover Spirit recently set a record for the furthest distance traveled in a single sol on Mars. Future planetary exploration missions are expected to use even longer drives to position rovers in areas of high scientific interest. This increase provides the potential for a large rise in the number of new science collection opportunities as the rover traverses the Martian surface. In this paper, we describe the OASIS system, which provides autonomous capabilities for dynamically identifying and pursuing these science opportunities during longrange traverses. OASIS uses machine learning and planning and scheduling techniques to address this goal. Machine learning techniques are applied to analyze data as it is collected and quickly determine new science gods and priorities on these goals. Planning and scheduling techniques are used to alter the behavior of the rover so that new science measurements can be performed while still obeying resource and other mission constraints. We will introduce OASIS and describe how planning and scheduling algorithms support opportunistic science.

artificial intelligence↗

Evaluation and Validation Approaches for Simulation of Social Behavior: Challenges and Opportunities

While models of social systems have grown in scope to represent increasingly complex phenomena, efforts to validate these models against observations suffer from a number of challenges that include the lack of shared approaches, the use of single-dimensional evaluation criteria, and the difficulty in evaluating causal mechanisms. Moreover, current evaluation approaches suffer from sensitivity of the existing measurements to initial conditions and model assumptions, and failure to account for uncertainty. These effects lead to the lack of generalizability to new contexts, inability to replicate the validation approach for new models, and difficulties in interpretation of validation results. These challenges can be addressed by building a set of diverse and robust evaluation metrics and by developing best practices for comparative, reproducible validation of varied social simulation approaches against real-world data. Herein, we outline several best practices for data-drive model validation, such as defining evaluation strategies consistent with the intended use case and defining broad comparison criteria to highlight both model strengths and weaknesses. Leveraging common validation practices will enable robust analysis of simulation performance across diverse social scenarios and modeling approaches.

Saldanha, Emily G.↗

Fungal social barriers: to fuse, or not to fuse, that is the question

Cell fusion takes place in all domains of life and contributes greatly to the formation of complex multicellular structures. In particular, many fungi, such as the filamentous Neurospora crassa, rely on conspecific somatic cell fusion to drive the unicellular-to-multicellular transition and formation of the interconnected mycelial syncytium. This can, however, lead to the transmission of infectious elements and deleterious genotypes that have a negative impact on the organismal fitness. Accumulating evidence obtained from natural populations suggests that N. crassa has evolved various self/non-self or allorecognition systems to avoid fusion between genetically non-identical spores or hyphae at all costs. Here we present an overview of the recent advances made in the field of fungal allorecognition, describe its genetic basis, and comment on its evolutionary meaning. These data pinpoint the multilayered complexity of the cooperative social behaviors undertaken by a model eukaryotic microbe.

59 BASIC BIOLOGICAL SCIENCES↗

The Joint Damping Experiment (JDX)

The Joint Damping Experiment (JDX), flown on the Shuttle STS-69 Mission, is designed to measure the influence of gravity on the structural damping of a high precision three bay truss. Principal objectives are: (1) Measure vibration damping of a small-scale, pinjointed truss to determine how pin gaps give rise to gravity-dependent damping rates; (2) Evaluate the applicability of ground and low-g aircraft tests for predicting on-orbit behavior; and (3) Evaluate the ability of current nonlinear finite element codes to model the dynamic behavior of the truss. Damping of the truss was inferred from 'Twang' tests that involve plucking the truss structure and recording the decay of the oscillations. Results are summarized as follows. (1) Damping, rates can change by a factor of 3 to 8 through changing the truss orientation; (2) The addition of a few pinned joints to a truss structure can increase the damping by a factor as high as 30; (3) Damping is amplitude dependent; (4) As gravity induced preloads become large (truss long axis perpendicular to gravity vector) the damping is similar to non-pinjointed truss; (5) Impacting in joints drives higher modes in structure; (6) The torsion mode disappears if gravity induced preloads are low.

Folkman, Steven L.↗

Dynamics of Sheared Granular Materials

This work focuses on the properties of sheared granular materials near the jamming transition. The project currently involves two aspects. The first of these is an experiment that is a prototype for a planned ISS (International Space Station) flight. The second is discrete element simulations (DES) that can give insight into the behavior one might expect in a reduced-g environment. The experimental arrangement consists of an annular channel that contains the granular material. One surface, say the upper surface, rotates so as to shear the material contained in the annulus. The lower surface controls the mean density/mean stress on the sample through an actuator or other control system. A novel feature under development is the ability to 'thermalize' the layer, i.e. create a larger amount of random motion in the material, by using the actuating system to provide vibrations as well control the mean volume of the annulus. The stress states of the system are determined by transducers on the non-rotating wall. These measure both shear and normal components of the stress on different size scales. Here, the idea is to characterize the system as the density varies through values spanning dense almost solid to relatively mobile granular states. This transition regime encompasses the regime usually thought of as the glass transition, and/or the jamming transition. Motivation for this experiment springs from ideas of a granular glass transition, a related jamming transition, and from recent experiments. In particular, we note recent experiments carried out by our group to characterize this type of transition and also to demonstrate/ characterize fluctuations in slowly sheared systems. These experiments give key insights into what one might expect in near-zero g. In particular, they show that the compressibility of granular systems diverges at a transition or critical point. It is this divergence, coupled to gravity, that makes it extremely difficult if not impossible to characterize the transition region in an earth-bound experiment. In the DE modeling, we analyze dynamics of a sheared granular system in Couette geometry in two (2D) and three (3D) space dimensions. Here, the idea is to both better understand what we might encounter in a reduced-g environment, and at a deeper level to deduce the physics of sheared systems in a density regime that has not been addressed by past experiments or simulations. One aspect of the simulations addresses sheared 2D system in zero-g environment. For low volume fractions, the expected dynamics of this type of system is relatively well understood. However, as the volume fraction is increased, the system undergoes a phase transition, as explained above. The DES concentrate on the evolution of the system as the solid volume fraction is slowly increased, and in particular on the behavior of very dense systems. For these configurations, the simulations show that polydispersity of the sheared particles is a crucial factor that determines the system response. Figures 1 and 2 below, that present the total force on each grain, show that even relatively small (10 %) nonuniformity of the size of the grains (expected in typical experiments) may lead to significant modifications of the system properties, such as velocity profiles, temperature, force propagation, and formation shear bands. The simulations are extended in a few other directions, in order to provide additional insight to the experimental system analyzed above. In one direction, both gravity, and driving due to vibrations are included. These simulations allow for predictions on the driving regime that is required in the experiments in order to analyze the jamming transition. Furthermore, direct comparison of experiments and DES will allow for verification of the modeling assumptions. We have also extended our modeling efforts to 3D. The (preliminary) results of these simulations of an annular system in zero-g environment will conclude the presentation.

Kondic, Lou↗

Resonant behavior of MHD waves on magnetic flux tubes. IV - Total resonant absorption and MHD radiating eigenmodes

Resonant absorption of MHD waves on a nonuniform flux tube is investigated as a driven problem for a 1D cylindrical equilibrium. The variation of the fractional absorption is studied as a function of the frequency and its relation to the eigenvalue problem of the MHD radiating eigenmodes of the nonuniform flux tube is established. The optimal frequencies producing maximal fractional absorption are determined and the condition for total absorption is obtained. This condition defines an impedance matching and is fulfilled for an equilibrium that is fine tuned with respect to the incoming wave. The variation of the spatial wave solutions with respect to the frequency is explained as due to the variation of the real and imaginary parts of the dispersion relation of the MHD radiating eigenmodes with respect to the real driving frequency.

Goossens, Marcel↗

IN-PILE MEASUREMENTS OF FUEL ROD DIMENSIONAL CHANGES UTILIZING THE TEST REACTOR LOOP PRESSURE FOR MOTION

Different types of materials are being considered for fuel, cladding, and structures in existing and advanced nuclear reactors. These materials can undergo significant dimensional and physical changes during irradiation. Currently in the US, such changes are measured with the ‘cook and look’ method (i.e. repeatedly irradiating a specimen for a specified period of time and then removing it from the reactor for evaluation). The time and labor to remove, examine, and return irradiated samples for each measurement makes this approach expensive. In addition, such techniques provide limited data, and handling may disturb the phenomena of interest. Therefore, in-pile detection of changes in geometry is sorely needed to understand real-time behavior during irradiation testing of fuels and materials in high flux US Material and Test Reactors (MTRs). This paper presents development results of an advanced Linear Variable Differential Transformer (LVDT)-based test rig capable of detecting real-time changes in diameter or length of fuel rods or other material samples during irradiation in US MTRs. This test rig is being developed at the Idaho National Laboratory (INL), and will provide experimenters with a unique capability to measure dimensional changes associated with fuel and clad swelling, pellet-clad interaction, and crud buildup. This novel LVDT design uses the MTR’s loop pressure to drive the test specimen at a constant rate. This leads to a simplified construction, that is, the use of fewer components than other diameter gauge test rigs. This simplified design only requires three pressure boundary penetrations. Further, a key component of this test rig is a leak tight hydraulic ram capable of actuating under low differential pressure, and is able to survive the high irradiation tests at Pressurized Water Reactor (PWR) conditions. The sensor has been proven on a benchtop scale, and shows repeatability and reliability. Measurement accuracies of ±3 µm for diameter and ±90 µm for length have been achieved.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Linear Quantum Coupler for Clean Bosonic Control

Quantum computing with superconducting circuits relies on high-fidelity driven nonlinear processes. An ideal quantum nonlinearity would selectively activate desired coherent processes at high strength, without activating parasitic mixing products or introducing additional decoherence. The wide bandwidth of the Josephson nonlinearity makes this difficult, with undesired drive-induced transitions and decoherence limiting qubit readout, gates, couplers, and amplifiers. Significant strides have recently been made into building better “quantum mixers,” with promise being shown by Kerr-free three-wave mixers that suppress driven frequency shifts, and balanced quantum mixers that explicitly forbid a significant fraction of parasitic processes. We propose a novel mixer that combines both these strengths, with engineered selection rules that make it essentially linear (not just Kerr-free) when idle, and activate clean parametric processes even when driven at high strength. Furthermore, its ideal Hamiltonian is simple to analyze analytically, and we show that this ideal behavior is first-order insensitive to dominant experimental imperfections. We expect this mixer to allow significant advances in high-𝑄 control, readout, and amplification.

Quantum circuits↗

Reassessing Double-Ended Guillotine Break Requirements: Evidence-Based Analysis of Regulatory Assumptions After Five Decades of Nuclear Operation

After five decades of nuclear power operation encompassing more than 20,000 reactor-years across 35 countries and 647 reactors, zero double-ended guillotine breaks (DEGBs) have been documented in commercial reactor coolant systems—despite DEGB being the fundamental design-basis assumption driving Emergency Core Cooling System (ECCS) sizing, structural protection requirements, and containment design specifications. This report examines the basis for DEGB requirements in nuclear power plant design. The DEGB postulate assumes the instantaneous, complete circumferential severance of the largest diameter pipes in reactor coolant systems, driving major design requirements under 10 Code of Federal Regulations 50.46, General Design Criterion 4 and containment design specifications. The United States (4,880 reactor-years) and France (2,505 reactor-years) contribute the largest operational datasets. Probabilistic assessments estimate direct DEGB occurrence probabilities with extremely low event frequencies, far below the 10-5/reactor-year thresholds typically used to define non-credible events in nuclear-safety analyses; i.e., events with probability this low fall into beyond-design-basis events. Current material-science knowledge demonstrates that the ductile steel materials used in nuclear piping systems exhibit stable crack-growth behavior fundamentally incompatible with instantaneous severance. International regulatory experience, particularly Germany’s comprehensive break-preclusion implementation, and successful leak-before-break (LBB) applications in almost all of U.S. pressurized water reactor units validate that alternatives can maintain safety performance while reducing economic burden. Current DEGB protection systems impose estimated lifetime costs of hundreds of millions of dollars per unit, over the life of a plant across the nuclear industry (including ongoing costs), representing substantial resource allocation toward scenarios with extremely low probability. Although this report acknowledges uncertainties regarding long-term aging effects, potential synergistic degradation mechanisms, and site-specific seismic considerations that warrant continued evaluation as regulatory policy evolves, there remains no documented evidence that a DEGB has occurred as a consequence of the conditions or mechanisms described in this report. This report acknowledges the Nuclear Regulatory Commission’s (NRC’s) recent efforts—outlined in the draft Interim Staff Guidance (ISG) NRC-DSS-ISG-2025-XX (“Treatment of Certain Loss-of-Coolant Accident Locations as Beyond-Design-Basis Accidents Draft Interim Staff Guidance”)—to reduce overly conservative requirements for large-break loss of coolant accidents through technical justifications and exemptions. However, extensive operating experience and validated methodologies—such as LBB and in-service inspection programs—demonstrate that the probability of a DEGB in reactor coolant-loop piping is extremely low, even under seismic conditions. The authors and reviewers of this report recommend that DEGB be removed as a design-basis event through formal rulemaking, rather than case-by-case exemptions, to better reflect credible failure modes, align with current data, and align with modern, risk-informed safety analysis.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Gravitational instability in a primordial collapsing gas cloud

This paper presents an analysis of the linear evolution of short-wavelength perturbations in a background fluid flow which is undergoing gravitational collapse on large scales. Local evolution equations for perturbations to an arbitrary flow are derived in the linear regime and the short-wavelength limit. Local perturbation behavior in an inhomogeneous flow is found to be the same as that in a homogeneous anisotropic flow having the same local velocity field. Background flows in which the scale factors vary as power laws in time are considered to illustrate the relative effects of self-gravity, pressure and kinematics of the background flow on the density perturbation evolution. Perturbation analyses are then presented for more realistic background flows arising from the evolution into the nonlinear regime of initially small density perturbations in an isotropically expanding cosmological model. For low-pressure, inhomogeneous collapses, kinematic effects tend to dominate over self-gravity in driving perturbation growth as the collapse proceeds.

Lacey, Cedric G.↗

Plan, formulate, and discuss a NASTRAN finite element model of the UH-60A helicopter airframe

Under a rotorcraft structural dynamics program sponsored by the NASA Langley Research Center, Sikorsky Aircraft, together with the other major helicopter airframe manufacturers, is engaged in a study to improve the use of finite element analysis to predict the dynamic behavior of helicopter airframes. This program, which was designated DAMVIBS (Design Analysis Methods for VIBrationS), includes activities in the areas of: planning, creating, and documenting finite element models of helicopter airframes; the performance of ground vibration tests; and the correlation of test and analysis. The work performed at Sikorsky Aircraft for planning, creating, and documenting a finite element model of the UH-60A BLACK HAWK helicopter airframe is summarized. A complete description of the components of the helicopter which are to be represented in the model is presented and includes: the structural arrangement, the identification of primary and secondary structure, the components of the drive and power trains, and the attachment of large weight items to the structure. Also presented are the techniques which were used to formulate the structural finite element model for static analysis, for forming the mass and vibration models for dynamic analysis, and the procedures which were used to check out and verify the integrity of the model. Initial predictions for the vibration modes for the helicopter are included.

Dinyovszky, P.↗

Electrolyte-Dependent, “Microscopically Irreversible” H-Atom Transfer Kinetics of Ce-Based Metal–Organic Framework, Ce-MOF-808

Redox reactions at the interface of metal oxides and protic electrolytes almost always involve protons and electrons in equal amounts. Given the stoichiometry, these proton-coupled electron transfer (PCET) reactions are thermochemically equivalent to net H-atom transfer (HAT) reactions. The correlation between the chemical nature of solid catalysts and HAT kinetics has been employed for decades as the design principle for energy-relevant reactions (e.g., reactions of 2H + /H 2 ). More recently, chemists have experimentally determined that a change in liquid electrolytes that alters the microenvironment at the redox-active sites has an equally profound impact on electrocatalysis involving PCET/HAT. Yet, precise correlations between the chemical nature of electrolytes and the PCET kinetics are, to date, rare in the literature. Herein, we report our findings using the Ce-based metal−organic framework, Ce-MOF-808, as a model system. Each Ce 6 (μ 3 −O) 4 (μ 3 − OH) 4 (OH) 6 (H 2 O) 6 node of this MOF undergoes a 1H + /1e − redox reaction. Using chronoamperometry and the Cottrell analysis, we have determined that the PCET hopping kinetics within the pores of Ce-MOF-808 can change by orders of magnitude by altering the buffer species and the proton activity of the electrolyte. Furthermore, in all buffers, reductive reactions were ∼3−10 times faster in kinetics than the reverse oxidative reaction with the same electrochemical driving force, suggesting that the system, at first glance, violates the principle of microscopic reversibility. Isothermal titration calorimetry (ITC) and computational simulations corroborated that the buffer-node binding thermodynamics are quite distinct, depending on the chemical nature of the buffer and the oxidation state of the node. Together, these results suggest that the substrate and the product during the oxidative vs reductive reaction of Ce-MOF-808 are chemically different species, which explains the apparent ‘microscopic irreversibility.’ Thus, the rational modulation of electrolytes can dramatically enhance PCET kinetics, even though the solid electrodes remain identical. Implications of these findings are contrasted with the electrochemical/electrocatalytic behavior of other redox-active MOFs, heterogeneous catalysts, and enzymatic systems at the solid−liquid interface.

Ce-based MOF↗

Asymmetric gravity jitter excited slosh waves at a liquid-vapor-solid interface in microgravity

The dynamical behavior of fluids affected by the asymmetric gravity jitter oscillations is investigated focusing on the surface tension effect on partially filled rotating fluids in a sub-scale gravity probe-B spacecraft propellant dewar tank. Data obtained revealed that the lower frequency gravity jitter imposed on the time-dependent variations of the background gravity direction induced a greater amplitude of oscillations and a stronger degree of asymmetry in liquid-vapor interface geometry than that caused by the higher frequency gravity jitter. It is also found that the greater the components of background gravity in radial and circumferential directions the greater the contribution to driving more toward increasing amplitude and degrees of asymmetry of the liquid-vapor interface profiles, which in turn modify the disturbance of moment of inertia and angular momentum of spacecraft.

Hung, R. J.↗

Thermal High- and Low-Cycle Fatigue Behavior of Thick Thermal Barrier Coating Systems

Ceramic thermal barrier coatings have received increasing attention for advanced gas turbine and diesel engine applications because of their ability to provide thermal insulation to engine components. However, the durability of these coatings under the severe thermal cycling conditions encountered in a diesel engine (ref. 1) still remains a major issue. In this research at the NASA Lewis Research Center, a high-power laser was used to investigate the thermal fatigue behavior of a yttria-stabilized zirconia coating system under simulated diesel engine conditions. The mechanisms of fatigue crack initiation and propagation, and of coating failure under complex thermal low-cycle fatigue (LCF, representing stop/start cycles) and thermal high-cycle fatigue (HCF, representing operation at 1300 rpm) are described. Continuous wave and pulse laser modes were used to simulate pure LCF and combined LCF/HCF, respectively (ref. 2). The LCF mechanism was found to be closely related to the coating sintering and creep at high temperatures. These creep strains in the ceramic coating led to a tensile stress state during cooling, thus providing the major driving force for crack growth under LCF conditions. The combined LCF/HCF tests induced more severe coating surface cracking, microspallation, and accelerated crack growth than did the pure LCF test. HCF thermal loads also facilitated lateral crack branching and ceramic/bond coat interface delaminations. HCF is associated with the cyclic stresses originating from the high-frequency temperature fluctuation at the ceramic coating surface. The HCF thermal loads act on the crack by a wedging mechanism (ref. 1), resulting in continuous crack growth at temperature. The HCF stress intensity factor amplitude increases with the interaction depth and temperature swing, and decreases with the crack depth. HCF damage also increases with the thermal expansion coefficient and the Young's modulus of the ceramic coating (refs. 1 and 3).

Miller, Robert A.↗