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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Strong competition between orbital ordering and itinerancy in a frustrated spinel vanadate

In this study, the crossover from localized to itinerant electron regimes in the geometrically frustrated spinel system Mn 1-x Co x V 2 O 4 is explored by neutron-scattering measurements, first-principles calculations, and spin models. At low Co doping, the orbital ordering (OO) of the localized V 3+ spins suppresses magnetic frustration by triggering a tetragonal distortion. At high Co doping levels, however, electronic itinerancy melts the OO and lessens the structural and magnetic anisotropies, thus increasing the amount of geometric frustration for the V-site pyrochlore lattice. Contrary to the predicted paramagentism induced by chemical pressure, the measured noncollinear spin states in the Co-rich region of the phase diagram provide a unique platform where localized spins and electronic itinerancy compete in a geometrically frustrated spinel.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Competition of lattice and spin excitations in the temperature dependence of spin-wave properties

The interplay of magnons and phonons can induce strong temperature variations in the magnetic exchange interactions, leading to changes in the magnetothermal response. This is a central mechanism in many magnetic phenomena, and in the new field of Spin Caloritronics, which focuses on the combination of heat and spin currents. Boson model systems have previously been developed to describe the magnon-phonon coupling but, until recently, studies rely on empirical parameters. In this paper, we propose a first-principles approach to describe the dependence of the magnetic exchange integrals on phonon renormalization, leading to changes in the magnon dispersion as a function of temperature. The temperature enters into the spin dynamics (by introducing fluctuations) as well as in the magnetic exchange itself. Depending on the strength of the coupling, these two temperatures may or may not be equilibrated, yielding different regimes. We test our approach in typical and well-known ferromagnetic materials: Ni, Fe, and Permalloy. Finally, we compare our results to recent experiments on the spin-wave stiffness, and discuss departures from Bloch’s law and parabolic dispersion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Competition between phase separation and spin density wave or charge density wave order: Role of long-range interactions

We report that recent studies of pairing and charge order in materials such as FeSe, SrTiO 3 , and 2H-NbSe 2 have suggested that momentum dependence of the electron-phonon coupling plays an important role in their properties. Initial attempts to study Hamiltonians which either do not include or else truncate the range of Coulomb repulsion have noted that the resulting spatial nonlocality of the electron-phonon interaction leads to a dominant tendency to phase separation. Here we present quantum Monte Carlo results for such models in which we incorporate both on-site and intersite electron-electron interactions. We show that these can stabilize phases in which the density is homogeneous and determine the associated phase boundaries. As a consequence, the physics of momentum dependent electron-phonon coupling can be determined outside of the trivial phase separated regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Competition between mass-symmetric and asymmetric fission modes in 258 Md produced in the 4 He+ 254 Es reaction

Earlier studies of spontaneous fission of heavy actinides found that the fission-fragment mass distribution suddenly changes from predominantly asymmetric to symmetric, when the mass number of the fissioning nucleus becomes larger than A c = 257. We have measured for the first time fission-fragment mass and totalkinetic-energy (TKE) distributions of the excited compound nucleus 258 Md∗ (Z = 101), populated in the reaction 4 He + 254 Es, using the rare radioactive target isotope 254 Es with a short half-life, T1/2 = 275.7 d. The fission of 258 Md∗ can be interpreted as involving three fission modes: one mass-asymmetric and two mass-symmetric fission modes, the latter two are manifested by different TKE values. In this assumption, symmetric and asymmetric fission modes have nearly similar yields at the excitation energy of 15.0 MeV. The spectrum of 18.0 MeV can be explained as due to the increase of asymmetric fission mode.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Reduced quasifission competition in fusion reactions forming neutron-rich heavy elements

Measurements of mass-angle distributions (MADs) for Cr + W reactions, providing a wide range in the neutron-to-proton ratio of the compound system, (N/Z) CN , have allowed for the dependence of quasifission on the (N/Z) CN to be determined in a model-independent way. Previous experimental and theoretical studies had produced conflicting conclusions. The experimental MADs reveal an increase in contact time and mass evolution of the quasifission fragments with increasing (N/Z) CN , which is indicative of an increase in the fusion probability. The experimental results are in agreement with microscopic time-dependent Hartree-Fock calculations of the quasifission process. Here the experimental and theoretical results favor the use of the most neutron-rich projectiles and targets for the production of heavy and superheavy nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Competition between energy- and entropy-driven activation in glasses

In simplified models of glasses we clarify the existence of two different kinds of coexisting activated dynamics, with one of the two dominating over the other. One is the energy barrier hopping that is typically used to understand activation, and the other, which we call entropic activation, is driven by the scarcity of convenient directions in phase space. When entropic activation dominates, the height of the energy barriers is no longer the primary factor governing the system's slowdown. In our analysis, dominance of one mechanism over the other depends on temperature and the shape of the density of states. Herein, we also find that at low temperatures a phase transition between the two kinds of activation can occur. Our observations are used to provide a scenario that can harmonize the facilitation and thermodynamic pictures of the slowdown of glasses into a single description.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Competition between roughness and strength for scale-dependent surfaces

Rocks famously have scale-dependent strength, yet the actual dependence is notoriously hard to measure or incorporate into any theoretical framework. Natural rough surfaces present an opportunity to solve the problem. Surfaces sliding in shear evolve as protrusions collide. These asperities can deform or break, thus creating a new surface shape. In particular, natural surfaces have roughness at all scales as well as scale-dependent strength. Based on a scaling analysis, we have previously suggested that the scale-dependent aspect ratio of steady-state surfaces should be proportional to the scale-dependent shear strain at yield. If true, scale-dependent strength could easily be inferred from natural surfaces. Thus, moving beyond the scaling argument to a rigorous treatment of scale-dependent strength for multiscale rough surfaces in shear is important. However, analytic frameworks for analyzing multiscale problems are challenging, as conventional continuum mechanics typically involves a single value for a material property across scales. Here, in this work, we build on the formalism of Persson (2001) that presents a method to compute contact area for rough surfaces with a prescribed topographic spectrum using a stochastic differential equation. The Persson formalism allows for plastic yield under normal loading of otherwise elastic materials and leaves open the possibility of scale-dependent yield stress. In this study, we pursue this route to develop a theory and numerical results for the yielding of a rough, elastoplastic surface with scale-dependent yield stress. Here, we examine surfaces for which the power spectrum of the topography 𝐶 and yield stress 𝑌 follow power laws as a function of scale 𝜆, such that 𝐶∼𝜆 −𝑚 and 𝑌∼𝜆 −𝑛 , respectively. In this formal treatment of the problem, we focus on surfaces in contact and the resulting yield and do not impose shear. Numerical solutions show that the deviation from the elastic scaling solution is bounded as expected by the prior 1D heuristic scaling argument that anticipates the Hurst exponent as 1−𝑛. We also show that the plasticity is expected to erode the contacts if 𝑚 is lower than 𝑛−3, which corresponds to a Hurst exponent lower than 1−𝑛/2. This result is rigorously sound for 2D, i.e., realistic surfaces, and quantitatively different than the prior scaling argument. The theory now permits a correspondingly quantitative approach to interpreting natural surfaces.

elasticity↗