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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Enhancement of Thermal Conductivity of Bentonite Buffer Materials with Copper Wires/Meshes for High-Level Radioactive Waste Disposal

In high-level radioactive waste disposal, a heat-generating waste canister is generally encased with a layer of bentonite-based buffer material acting as an engineered barrier to limit water percolation and radionuclide release. The low thermal conductivity of bentonite (~0.5 W/m∙K) combined with a high thermal loading waste package may result in a high surface temperature on the package that can potentially impact the structural integrity of the package itself as well as the surrounding buffer material. We show in this paper that the thermal conductivity of bentonite can be effectively enhanced by embedding copper wires/meshes across the buffer layer to form fully connected high heat conduction pathways. A simple calculation based on Rayleigh’s model shows that a required thermal conductivity of 5 W/m∙K for effective heat dissipation can be achieved simply by adding ~1 vol % of copper wires/meshes into bentonite. As a result, the peak surface temperature on a large waste package such as a dual-purpose canister can be reduced by up to 300°C, leading to a significant reduction in the surface storage time for waste cooling and therefore the overall cost for direct disposal of such waste packages. Because of the ensured full thermal percolation across the buffer layer, copper wires/meshes turn out to be much more effective than any other materials currently suggested (such as graphene or graphite) in enhancing the thermal conductivity of buffer material. Furthermore, the embedded copper wires/meshes can help reinforce the mechanical strength of the buffer material, thus preventing the material from a potential erosion by a possible intrusion of dilute groundwater.

36 MATERIALS SCIENCE↗
DOE OSTI2014

An analytical model of the large neutral regions during the late stage of reionization

In this paper, we investigate the nature and distribution of large neutral regions during the late epoch of reionization. In the 'bubble model' of reionization, the mass distribution of large ionized regions ('bubbles') during the early stage of reionization is obtained by using the excursion set model, where the ionization of a region corresponds to the first up-crossing of a barrier by random trajectories. We generalize this idea and develop a method to predict the distribution of large-scale neutral regions during the late stage of reionization, taking into account the ionizing background after the percolation of H II regions. The large-scale neutral regions, which we call 'neutral islands', are not individual galaxies or minihalos, but larger regions where fewer galaxies formed and hence ionized later and they are identified in the excursion set model with the first down-crossings of the island barrier. Assuming that the consumption rate of ionizing background photons is proportional to the surface area of the neutral islands, we obtained the size distribution of the neutral islands. We also take the 'bubbles-in-island' effect into account by considering the conditional probability of up-crossing a bubble barrier after down-crossing the island barrier. We find that this effect is very important. An additional barrier is set to avoid islands being percolated through. We find that there is a characteristic scale for the neutral islands, while the small islands are rapidly swallowed up by the ionizing background; this characteristic scale does not change much as the reionization proceeds.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Preferential quenching of 5 d antiferromagnetic order in Sr 3 (Ir 1– x Mn x ) 2 O 7

The breakdown of J eff = 1/2 antiferromagnetism in the limit of strong disorder is studied in Sr 3 (Ir 1– x Mn x ) 2 O 7 . Upon Mn-substitution, antiferromagnetic ordering of the Ir cations becomes increasingly two-dimensional, resulting in the complete suppression of longrange Ir magnetic order above x ≈ 0.25. Long-range antiferromagnetism however persists on the Mn sites to higher Mn concentrations ( x > 0.25) and is necessarily mediated via a random network of majority Ir sites. Our data suggest a shift in the Mn valence from Mn 4+ to Mn 3+ at intermediate doping levels, which in turn generates nonmagnetic Ir 5+ sites and suppresses long-range order within the Ir network. Here, the collapse of long-range J eff = 1/2 antiferromagnetism and the survival of percolating antiferromagnetic order on Mn-sites demonstrates a complex 3 d –5 d exchange process that surprisingly enables minority Mn spins to order far below the conventional percolation threshold for a bilayer square lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

The effect of metal–insulator interface interactions on electrical transport in granular metals

Here, we present an in-depth study of metal–insulator interfaces within granular metal (GM) films and correlate their interfacial interactions with structural and electrical transport properties. Nominally 100 nm thick GM films of Co and Mo dispersed within yttria-stabilized zirconia (YSZ), with volumetric metal fractions (φ) from 0.2–0.8, were grown by radio frequency co-sputtering from individual metal and YSZ targets. Scanning transmission electron microscopy and DC transport measurements find that the resulting metal islands are well-defined with 1.7–2.6 nm average diameters and percolation thresholds between φ = 0.4–0.5. The room temperature conductivities for the φ = 0.2 samples are several orders of magnitude larger than previously-reported for GMs. X-ray photoemission spectroscopy indicates both oxygen vacancy formation within the YSZ and band-bending at metal–insulator interfaces. The higher-than-predicted conductivity is largely attributed to these interface interactions. In agreement with recent theory, interactions that reduce the change in conductivity across the metal–insulator interface are seen to prevent sharp conductivity drops when the metal concentration decreases below the percolation threshold. These interface interactions help interpret the broad range of conductivities reported throughout the literature and can be used to tune the conductivities of future GMs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

A probabilistic-phase field model for the fracture of brittle materials

Abstract We develop a computational method to determine the failure probability of brittle materials under general mechanical loading conditions. The method is a combination of two parts: (1) numerical simulations of materials with multiple cracks using phase field theory, where the complete fracture process is viewed as ‘damage percolation’ along critical paths or clusters of cracks, rather than the traditional weak-link failure mechanism of Weibull, and (2) an extension of the Batdorf statistical theory of fracture to finite domains, where it is implemented within the finite element framework. The results of phase-field simulations at the ‘percolation threshold’ are used as failure data in the Batdorf theory to determine the overall probability of failure. The input to this approach is the size distribution of cracks in a pristine material. An example is shown, where alumina samples that were previously tested by Abe and coworkers (Abeet al2003J. Am. Ceram. Soc.861019–21) in four-point loading are compared to the results of our numerical simulations. The approach developed here has the advantage of being extendable to more complex thermomechanical loading.

Materials Science↗
DOE OSTI2025

Tape-in-tape-out (TITO): a new approach for in-situ contact resistance measurements in high temperature superconducting CORC® cables

One of the ongoing development challenges with ReBCO high-temperature superconducting (HTS) cables is normal zone initiation and local heating, which is associated with over-critical current flowing through and around local performance reductions in individual tapes. Although inter-tape contact resistances are well-reported for individual tapes and HTS cables, these measurements are a challenge in CORC® cables as current percolates through much of the cable. In this work, developments in tape-in-tape-out (TITO) automated individual tape powering experiments are presented, and a simplified modeling approach for current percolation in CORC® cables is developed. An optimization is formulated to fit the model parameters to a large set of TITO experiments on a single cable, allowing the layer-dependent inter-tape contact resistance to be extracted. Measurements are presented and discussed for a straight CORC® cable and a cable bent to a 152 mm and 76 mm radius. The approach provides both quantitative insight and facilitates better understanding of current sharing phenomena in HTS cables.

Teyber, Reed↗
DOE OSTI2022

Critical points of the random cluster model with Newman–Ziff sampling

Here, we present a method for computing transition points of the random cluster model using a generalization of the Newman–Ziff algorithm, a celebrated technique in numerical percolation, to the random cluster model. The new method is straightforward to implement and works for real cluster weight q > 0. Furthermore, results for an arbitrary number of values of q can be found at once within a single simulation. Because the algorithm used to sweep through bond configurations is identical to that of Newman and Ziff, which was conceived for percolation, the method loses accuracy for large lattices when q > 1. However, by sampling the critical polynomial, accurate estimates of critical points in two dimensions can be found using relatively small lattice sizes, which we demonstrate here by computing critical points for non-integer values of q on the square lattice, to compare with the exact solution, and on the unsolved non-planar square matching lattice. The latter results would be much more difficult to obtain using other techniques.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Interplay of superconducting, metallic, and crystalline states of composite fermions at 𝜈 = $\frac{1}{6}$ in wide quantum wells

Evidence for developing fractional quantum Hall effect (FQHE) at filling fraction 𝜈 = 1/6 and 1/8 was recently reported in wide GaAs quantum wells [Wang et al., Phys. Rev. Lett. 134, 046502 (2025)]. In this article, we theoretically investigate the nature of the state at 𝜈 = 1/6 as a function of the quantum well width and the density by considering composite-fermion (CF) crystals, CF Fermi sea, and various kinds of paired CF states. The 𝑓-wave paired state has the lowest energy among the paired CF states. However, for parameters of interest, the energies of the CF crystal, the CF Fermi liquid, and the 𝑓-wave paired CF state are too close to distinguish. We, therefore, predict that 𝑖𝑓 the FQHE at 𝜈 = 1/6 is experimentally confirmed, this state would be an 𝑓-wave paired state of CFs, which can be verified by measurement of its thermal Hall conductance. Exact diagonalization studies on clean systems with up to eight electrons show that the ground states at 𝜈 = 𝑛/(6⁢𝑛 ± 1) are incompressible for all widths and densities we have considered, and are well described by the corresponding Laughlin and Jain states. We propose a phase diagram for large quantum well widths and densities in which at zero disorder, incompressible FQHE states are stabilized at 𝜈 = 𝑛/(6⁢𝑛 ± 1) and 𝜈 = 1/6, but in between these fillings the CF crystal is stabilized. We also present a qualitative discussion on the effects of disorder and propose a schematic phase diagram based on it. With disorder, which creates a spatial variation in the filling factor, two regimes are identified: (i) for small disorder, when the incompressible states percolate at the special fillings, FQHE with quantized Hall plateaus and vanishing longitudinal resistance should occur; and (ii) for larger disorder, when the CF crystal percolates, the longitudinal resistance rises with decreasing temperature but the domains of FQHE liquid produce minima at the special filling factors. Here, experiments are consistent with the latter scenario. We also mention a possible connection of the phase diagram presented here to a puzzling behavior observed for the fractional quantum anomalous Hall effect in pentalayer graphene.

Composite fermions↗
DOE OSTI2022

Exponential Escape Rate of Filamentary Incubation in Mott Spiking Neurons

Mott materials such as vanadium oxides, when subject to a strong applied voltage, present an inhomogeneous insulator-to-metal transition with formation of metallic filaments within the insulating bulk. This property is enabling the development of compact and power-efficient neuromorphic devices known as Mott neurons. However, the nature of the transition has not been fully understood yet, as it may be attributed to different effects, including Joule self-heating and hot-carrier injection. Moreover, the experimental determination of the threshold voltage needed to induce the transition has proven to be challenging, as the transition becomes increasingly unpredictable when the threshold is approached. The physical understanding of these issues would not only deepen our understanding of Mott insulators, but would also be an important step toward the realization of neuromorphic devices based on such materials. In this work we use numerical simulations based on the Mott resistor network model to study the nature of the filament incubation and formation process. Here, we show that both electronic and thermal effects, in the form of current density focusing and Joule self-heating, respectively, contribute to the filamentary incubation and growth. Remarkably, we find that the percolation of the metallic filaments near the threshold is intrinsically stochastic, qualitatively similar to the familiar Arrhenius activated behavior and to the stochastic firing of biological neurons. More precisely, we characterize the filament percolation as a Poisson point process, which has the same probability distribution as mathematical models of neuronal firing with an exponential escape rate. Finally, we support the numerical simulation results by performing experiments in VO 2 that are in agreement with the exponential escape rate behavior. Thus, we establish a functionality of Mott insulators that opens a path toward implementing neuromorphic hardware with quantum materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Stability of disordered topological superconducting phases in magnet-superconductor hybrid systems

Magnet-superconductor hybrid heterostructures constitute a promising candidate system for the quantum engineering of chiral topological superconductivity. In this work, we investigate the stability of their topological phases in the presence of various types of potential and magnetic disorder. In particular we consider magnetic disorder in the coupling strength and spin orientation, as well as percolation-type disorder representing missing magnetic moments. We show that potential disorder leads to the weakest suppression of topological phases, while percolation disorder leads to their strongest suppression. In addition, disorder can also lead to the emergence of topological phases in part of the phase diagram that are topologically trivial in a clean system. Furthermore, we demonstrate that in the case of correlated potential disorder, the spatial structure of the disorder potential is correlated not only with the particle number density, but also the Chern number density. Finally, we demonstrate how the disorder-induced destruction of topological superconductivity is reflected in the spatial structure and distribution of the Chern number density.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Dynamical resilience to disorder: The dilute Hubbard model on the Lieb lattice

In itinerant systems, electron-electron interactions may lead to the formation of local magnetic moments and their effective exchange coupling, which in turn gives rise to long-range magnetic order. Therefore, when moment formation is weakened, such as in the single-band Hubbard model on a square lattice with the on-site repulsion being randomly switched off on a fraction $\textit{x}$ of sites, magnetic order is suppressed beyond some critical $x_c$, which was found to lie below the classical percolation threshold $x^{\text{(perc,sq)}}_c$. Here we study dilute magnetism in flat band systems, namely, in the Hubbard model on a “Lieb” lattice. Interestingly, we show that magnetic order persists to x almost twice as large as the classical percolation threshold for the lattice, thus emphasizing the central role of electron itinerancy to the magnetic response. Further, the analysis of the orbital-resolved order parameters reveals that the contribution of the fourfold coordinated $\textit{“d”}$ sites to magnetism is dramatically affected by dilution, while the localized $\textit{“p”}$ states of the flat band provide the dominant contribution to long-range correlations. We also examine the transport properties, which suggest the existence of an insulator-to-metal transition in the same range of the critical magnetic dilution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Topological order and entanglement dynamics in the measurement-only XZZX quantum code

We examine the dynamics of a ( 1 + 1 ) -dimensional measurement-only circuit defined by the stabilizers of the [[5,1,3]] quantum error correcting code interrupted by single-qubit Pauli measurements. The code corrects arbitrary single-qubit errors and it stabilizes an area law entangled state with a D 2 = Z 2 × Z 2 symmetry protected topological (SPT) order, as well as a symmetry breaking (SB) order from a twofold bulk degeneracy. The Pauli measurements break the topological order and induce a phase transition into a trivial area law phase. Allowing more than one type of Pauli measurement increases the measurement-induced frustration and the SPT and SB order can be broken either simultaneously or separately at nonzero measurement rate. This yields a rich phase diagram and unanticipated critical behavior at the phase transitions. Although the correlation length exponent ν = 4 3 and the dynamical critical exponent z = 1 are consistent with bond percolation, the prefactor of the logarithmic entanglement growth may take noninteger multiples of the percolation value. Remarkably, we identify a robust transient scaling regime for the purification dynamics of L qubits. It reveals a modified dynamical critical exponent z * ≠ z , which is observable up to times t ~ L z * and is reminiscent of the relaxation of critical systems into a prethermal state.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Network model for periodically strained graphene

The long-wavelength physics of monolayer graphene in the presence of periodic strain fields has a natural chiral scattering network description. When the strain field varies slowly compared to the graphene lattice and the effective magnetic length of the induced valley pseudomagnetic field, the low-energy physics can be understood in terms of valley-polarized percolating domain-wall modes. Inspired by a recent experiment, we consider a strain field with threefold rotation and mirror symmetries but without twofold rotation symmetry, resulting in a system with the connectivity of the oriented kagome network. Scattering processes in this network are captured by a symmetry-constrained phenomenological S matrix. Here, we analyze the phase diagram of the kagome network and show that the bulk physics of the strained graphene can be qualitatively captured by the network when we account for a percolation transition at charge neutrality. We also discuss the limitations of this approach to properly account for boundary physics.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Tuning the magnetic anisotropy in CeRhIn 5 via Gd substitution

In strongly correlated materials, the presence of defects may fundamentally affect both macroscopic and microscopic properties of the system. Here we investigate the effect of Gd substitution in the Kondo antiferromagnet CeRhIn 5 . At a concentration of only 11% Gd, the magnetic anisotropy of CeRhIn 5 is drastically reduced at high temperatures, whereas its antiferromagnetic transition, T Ce N = 3.8 K, is linearly suppressed with Gd at low temperatures. Here, the extrapolation of T Ce N to zero temperature occurs at a critical concentration of x c ~ 0.63, which is above the two-dimensional percolation limit found in Ce 1–x La x RhIn 5 (x c ~ 0.4), but very close to the three-dimensional percolation limit found in Gd 1–x La x RhIn 5 and Ce 1–x La x In 3 (x c ~ 0.65), in agreement with the more isotropic magnetic response.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Evolution of magnetic and orbital properties in the magnetically diluted A -site spinel Cu 1 – x Zn x Rh 2 O 4

In frustrated spinel antiferromagnets, dilution with nonmagnetic ions can be a powerful strategy for probing unconventional spin states or uncovering interesting phenomena. Here, we present x-ray, neutron scattering, and thermodynamic studies of the effects of magnetic dilution of the tetragonally distorted A -site spinel antiferromagnet, CuRh 2 O 4 , with nonmagnetic Zn 2+ ions. Our data confirm the helical spin order recently identified at low temperatures in this material, and further demonstrate a systematic suppression of the associated Néel temperature with increasing site dilution towards a continuous transition with critical doping of x spin ~0.44. Interestingly, this critical doping is demonstrably distinct from a second structural critical point at x JT ~0.6, which is consistent with the suppression of orbital order on the A site through a classical percolative mechanism. In conclusion, this anomalously low value for x spin is confirmed via multiple measurements, and is inconsistent with predictions of classical percolation theory, suggesting that the spin transition in this material is driven by an enhancement of preexisting spin fluctuations with weak dilution.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Morphological-evolution pathway during phase separation in polymer solutions with highly asymmetrical miscibility gap

Microstructural evolution during thermally induced phase separation in a polymer solution with a highly asymmetrical miscibility gap is analyzed using Flory-Huggins thermodynamics and nonlinear Cahn-Hilliard kinetics. Computer simulation results demonstrate that, in contrast to systems with symmetric miscibility gaps, interesting morphological-evolution pathways (MEPs) including cluster-to-percolation and percolation-to-cluster transitions are identified. These MEPs are rationalized according to asynchronous evolution of the two product phases. For a highly asymmetric polymer system, the initial solution composition is also found to play a critical role in determining the MEPs. According to the simulation results a map of MEPs in terms of initial solution composition and aging time of phase separation is established to guide future microstructural design in asymmetrical polymer solutions.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Ionic Tuning of Cobaltites at the Nanoscale

Control of materials through custom design of ionic distributions is one of the most promising approaches for developing future technologies ranging from spintronic logic and memory devices to energy storage. Perovskites have shown particular promise for ionic-devices due to their high ion mobility and sensitivity to chemical stoichiometry. In this work, we demonstrate control of ion distributions in (La,Sr)CoO3. Commensurate with control of the oxygen stoichiometry, the Co valence and saturation magnetization show a smooth continuous variation. In contrast, magnetoresistance measurements show a sharp, step-wise transition in the magnetic anisotropy and resistivity over the same range of oxygen stoichiometry. These results suggest significant phase separation, with conductive magnetic regions and oxygen-deficient, insulating, non-magnetic regions, forming percolated networks. Indeed, X-ray diffraction identifies oxygen vacancy ordering, including the emergence of Brownmillerite ordering. The unusual appearance of the Brownmillerite phase under ambient temperature is further confirmed by high resolution scanning transmission electron microscopy. This work demonstrates room-temperature ionic control of magnetism, electrical conductivity and crystalline structure, in a 40 nm film, presenting new opportunities for ionic devices that leverage multiple material properties.

thin films, magnetism, xmcd, pnr, STEM, defects↗
DOE OSTI2015

Multiphase Modeling of Geologic Carbon Sequestration in Saline Aquifers

Abstract Geologic carbon sequestration ( GCS ) is being considered as a climate change mitigation option in many future energy scenarios. Mathematical modeling is routinely used to predict subsurface CO 2 and resident brine migration for the design of injection operations, to demonstrate the permanence of CO 2 storage, and to show that other subsurface resources will not be degraded. Many processes impact the migration of CO 2 and brine, including multiphase flow dynamics, geochemistry, and geomechanics, along with the spatial distribution of parameters such as porosity and permeability. In this article, we review a set of multiphase modeling approaches with different levels of conceptual complexity that have been used to model GCS . Model complexity ranges from coupled multiprocess models to simplified vertical equilibrium (VE) models and macroscopic invasion percolation models. The goal of this article is to give a framework of conceptual model complexity, and to show the types of modeling approaches that have been used to address specific GCS questions. Application of the modeling approaches is shown using five ongoing or proposed CO 2 injection sites. For the selected sites, the majority of GCS models follow a simplified multiphase approach, especially for questions related to injection and local‐scale heterogeneity. Coupled multiprocess models are only applied in one case where geomechanics have a strong impact on the flow. Owing to their computational efficiency, VE models tend to be applied at large scales. A macroscopic invasion percolation approach was used to predict the CO 2 migration at one site to examine details of CO 2 migration under the caprock.

Bandilla, Karl W.↗