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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 19 records

Spontaneous Relaxation through Graphene Suggests an Alternative Strain Relaxation Mechanism in Heteroepitaxy

While conventional epitaxy produces high-quality epitaxial layers, the limited set of commercially available wafers restricts the number of material choice that can be grown through epitaxy. To extend the set of epi-materials, heteroepitaxy has been widely used although the epi-materials have severe lattice mismatch from wafers. The problem of heteroepitaxy of the lattice mismatched systems is that introducing dislocations is unavoidable because of the strain energy built up in epitaxial layers exceeds the threshold energy value to create dislocation. As the dislocations significantly reduce the materials’ properties, people have put intensive effort into finding a new way to resolve this issue. Here, we introduce a new strain relaxation approach which can efficiently engineer the lattice with minimizing dislocation formation. Remote epitaxy allows single-crystalline growths on graphene-coated substrates as atomic potential field guides atomic registry through graphene while weakening binding energy of epilayer to the substrate. We discovered that this weakened interface offers a new pathway for strain relaxation during epitaxy in the lattice mismatched systems. While conventional heteroepitaxy relaxes accumulated strain energy through involving misfit dislocations, heteroepitaxy on graphene-coated substrates spontaneously relaxes its strain minimizing dislocation density. Thus, at the same thickness and misfit strain, the epilayer grown on graphene-coated substrates shows full relaxation with substantially reduced dislocations while that by conventional heteroepitaxy exhibits slight relaxation with full of dislocations. It means that full of strain relaxation at much lower thickness is available through this approach. We strongly believe that our strategy allows broadening range of available semiconductors through epitaxy, which could lead high performance electronic and photonics.

Bae, Sang-Hoon↗

Cosmological Constraints from Gas Mass Fractions of Massive, Relaxed Galaxy Clusters

We present updated cosmological constraints from measurements of the gas mass fractions (f(gas)) of massive, dynamically relaxed galaxy clusters. Our new data set has greater leverage on models of dark energy, thanks to the addition of the Perseus cluster at low redshifts, two new clusters at redshifts z greater than or similar to 1, and significantly longer observations of four clusters at 0.6 < z < 0.9. Our low-redshift (z < 0.16) f(gas) data, combined with the cosmic baryon fraction measured from the cosmic microwave background (CMB), imply a Hubble constant of h = 0.722 +/- 0.067. Combining the full f(gas) data set with priors on the cosmic baryon density and the Hubble constant, we constrain the dark energy density to be Omega(Lambda) = 0.865 +/- 0.119 in non-flat Lambda cold dark matter (cosmological constant) models, and its equation of state to be in flat, constant-w models, respectively 41percent and 29percent tighter than our previous work, and comparable to the best constraints available from other probes. Combining f(gas), CMB, supernova, and baryon acoustic oscillation data, we also constrain models with global curvature and evolving dark energy. For the massive, relaxed clusters employed here, we find the scaling of f(gas) with mass to be consistent with a constant, with an intrinsic scatter that corresponds to just similar to 3percent in distance.

clusters: general – X-rays:↗

Micromechanics of Fracture Propagation During Multistage Stress Relaxation and Creep in Brittle Rocks

Time-dependent rock deformation caused by the initiation and growth of fractures leads to the weakening of the rock mass. Understanding the fracturing mechanisms involved in the time-dependent behavior in brittle rocks is very important and to achieve this goal, a systematic series of three types of experiments was performed on double-flawed prismatic Barre granite specimens under unconfined compression. The first series aimed to identify the failure mechanism in the short-term failure mode under monotonic loading, the, second series involved multistage relaxation (constant strain) experiments to analyze the damage at different strain levels, and the third series explored the fracture propagation under multistage creep (constant load) experiments. The spatial and temporal evolution of cracking mechanisms were evaluated using the acoustic emission (AE) and two-dimensional digital image correlation (2D-DIC) techniques to observe the whole crack growth process as well as the accumulated inelastic strain at the specified region of interest. Results suggest that in the case of multistage creep experiments, the time to failure was less compared to the multistage relaxation, when loaded above the crack damage threshold (CD) estimated from the monotonic testing. Furthermore, the frequency magnitude distribution of the AE events generated in the three loading conditions followed the Gutenberg Richter model. A relatively lower b-value was obtained for the creep experiments, indicative of high energy AE events and faster crack growth. In addition, the AE and DIC results also revealed high evolution of tensile cracks at-different stages of creep and relaxation compared to shear and mixed-mode cracks.

58 GEOSCIENCES↗

Neutron Spin–Echo Studies of the Structural Relaxation of Network Liquid ZnCl 2 at the Structure Factor Primary Peak and Prepeak

Using neutron spin-echo spectroscopy, we studied the microscopic structural relaxation of a prototypical network ionic liquid ZnCl 2 at the structure factor primary peak and pre-peak. The results show that the relaxation at the primary peak is faster than the pre-peak and the activation energy is ≈33% higher. Stretched exponential relaxation is observed even at temperatures well above the melting point T m . Surprisingly, the stretching exponent shows a rapid increase upon cooling, especially at the primary peak, where it changes from stretched exponential to simple exponential on approaching T m . Furthermore, these results suggest that the appearance of glassy dynamics typical of the supercooled state even in the equilibrium liquid state of ZnCl 2 as well as the difference of activation energy at the two investigated length scales are related to the formation of network structure on cooling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Self-Consistent Theory for Structural Relaxation, Dynamic Bond Exchange Times, and the Glass Transition in Polymeric Vitrimers

Here, we formulate a statistical mechanical theory for how dynamic bond exchange influences the activated hopping-driven relaxation of Kuhn segments in dynamically cross-linked networks or vitrimers over a wide range of temperatures and cross-link densities. The key new methodological aspect is to address in a self-consistent manner the dynamic consequences of bond exchange on the Kuhn segmental alpha relaxation, and vice versa. The predicted temperature dependence of the segmental alpha time of vitrimers at high temperatures remains the same as that of permanent networks, but at lower temperatures, a significant acceleration of relaxation occurs due to bond exchanges. From a mechanistic perspective, the vitrimer local cage barrier is very weakly affected by bond exchange, while the collective elastic barrier contribution decreases significantly in the deeply supercooled regime. The vitrimer glass transition temperature is predicted to grow linearly with the square root of the cross-link density, as previously found for permanent networks. Material-specific chemical effects such as cross-linker size relative to that of the normal Kuhn segment or special attraction of a cross-linker with polymers are crudely considered based on model calculations. The theory is quantitatively applied to recent experiments on dry ethylene vitrimers. Good agreements are found including that the bond exchange time follows an Arrhenius law at high enough temperatures but upward non-Arrhenius deviations emerge in the deeply supercooled regime, and a collapsed master curve of the segment alpha time exists over a wide range of cross-link densities and temperatures. Possible extensions to treat dynamic heterogeneity effects and penetrant transport in vitrimers are briefly discussed.

chemical calculations↗

Novel Relaxation Time Approximation: A Consistent Calculation of Transport Coefficients with QCD-inspired Relaxation Times

We use a novel formulation of the relaxation time approximation to consistently calculate the bulk and shear viscosity coefficients using QCDinspired energy-dependent relaxation times and phenomenological thermal masses obtained from fits to lattice QCD thermodynamics. The matching conditions are conveniently chosen to simplify the computations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

T 1 Anisotropy Elucidates Spin Relaxation Mechanisms in an S = 1 Cr(IV) Optically Addressable Molecular Qubit

Paramagnetic molecules offer unique advantages for quantum information science owing to their spatial compactness, synthetic tunability, room-temperature quantum coherence, and potential for optical state initialization and readout. However, current optically addressable molecular qubits are hampered by rapid spin–lattice relaxation ( T 1 ) even at sub-liquid nitrogen temperatures. Here, we use temperature- and orientation-dependent pulsed electron paramagnetic resonance (EPR) to elucidate the negative sign of the ground state zero-field splitting (ZFS) and assign T 1 anisotropy to specific types of motion in an optically addressable S = 1 Cr(o-tolyl) 4 molecular qubit. The anisotropy displays a distinct sin 2 (2θ) functional form that is not observed in S = 1/2 Cu(acac) 2 or other Cu(II)/V(IV) microwave addressable molecular qubits. The Cr(o-tolyl) 4 T 1 anisotropy is ascribed to couplings between electron spins and rotational motion in low-energy acoustic or pseudoacoustic phonons. Our findings suggest that rotational degrees of freedom should be suppressed to maximize the coherence temperature of optically addressable qubits.

magnetic properties↗

Correlated charge noise and relaxation errors in superconducting qubits

In This report, the central challenge in building a quantum computer is error correction. Unlike classical bits, which are susceptible to only one type of error, quantum bits (“qubits”) are susceptible to two types of error, corresponding to flips of the qubit state about the X- and Z-directions. While the Heisenberg Uncertainty Principle precludes simultaneous monitoring of X- and Z-flips on a single qubit, it is possible to encode quantum information in large arrays of entangled qubits that enable accurate monitoring of all errors in the system, provided the error rate is low. Another crucial requirement is that errors cannot be correlated. Here, we characterize a superconducting multiqubit circuit and find that charge fluctuations are highly correlated on a length scale over 600 µm; moreover, discrete charge jumps are accompanied by a strong transient suppression of qubit energy relaxation time across the millimeter-scale chip. The resulting correlated errors are explained in terms of the charging event and phonon-mediated quasiparticle poisoning associated with absorption of gamma rays and cosmic-ray muons in the qubit substrate. Robust quantum error correction will require the development of mitigation strategies to protect multiqubit arrays from correlated errors due to particle impacts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Relaxation dynamics in see-saw shaped Dy( iii ) single-molecule magnets

Unusual see-saw shaped Dy( iii ) single-molecule magnets, [K(DME) n ][L Ar Dy(X) 2 ] (L Ar = {C 6 H 4 [(2,6- i PrC 6 H 3 )NC 6 H 4 ] 2 } 2− ), X = Cl ( 1 ) and X = I ( 2 ) were synthesized and display high effective energy barriers ( U eff = 1278–1334 K) in zero field.

Harriman, Katie L. M.↗