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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Symmetry-breaking in double gyroid block copolymer films by non-affine distortion

Soft-matter bicontinuous networks find a double gyroid structure from block copolymer (BCP) self-assembly. A gyroid structure composed of dissimilar blocks has proven its potential as a soft crystal capable of tuning structural periodicity and symmetry, of which the lattice dimension is variable with molecular weight of the polymer. Using an asymmetric polystyrene- b -poly(methyl methacrylate) (PS- b -PMMA), in this study we show that the self-assembled gyroid films formed via a solvent vapor annealing (SVA) process undergo unique structural distortion due to directional deformation immediately upon deswelling. During the SVA process with PS- b -PMMA films, transient cylinders developed from the as-cast morphology transform into a cubic gyroid structure in a swollen state. Rapid and spontaneous deswelling processes -the manners in which the films contract along the z-direction while retaining an enlarged lateral dimension of the cubic form -lead to triclinic gyroid structures with z-directional contraction ratios ( C z ) of 2.5 and 2.0, respectively. Our X-ray analysis reveals that the deswelling process of the swollen gyroid films produces a notable symmetry-breaking in non-affine gyroid structure that elicits several forbidden reflections such as {110} and {200} reflections. For further characterization of the symmetry-breaking, we delineate the structural features of noncubic gyroid films by computing electron-density difference maps assisted with X-ray measurements. Level-set approach is accordingly developed to quantitate the structural characteristics of the maps in terms of inversion symmetry-breaking, suggesting its possible application to optical Weyl photonic crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Local observation of linear-T superfluid density and anomalous vortex dynamics in URu2Si2

The heavy fermion superconductor URu2Si2 is a candidate for chiral, time-reversal symmetry-breaking superconductivity with a nodal gap structure. Here, we microscopically visualized superconductivity and spatially inhomogeneous ferromagnetism in URu2Si2. We observed linear-T superfluid density, consistent with d-wave pairing symmetries including chiral d wave, but did not observe the spontaneous magnetization expected for chiral d wave. Local vortex pinning potentials had either four- or twofold rotational symmetries with various orientations at different locations. Taken together, these data support a nodal gap structure in URu2Si2 and suggest that chirality either is not present or does not lead to detectable spontaneous magnetization.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Layered Semiconductor Cr 0.32 Ga 0.68 Te 2.33 with Concurrent Broken Inversion Symmetry and Ferromagnetism: A Bulk Ferrovalley Material Candidate

The valleytronic state found in group-VI transition-metal dichalcogenides such as MoS2 has attracted immense interest since its valley degree of freedom could be used as an information carrier. However, valleytronic applications require spontaneous valley polarization. Such an electronic state is predicted to be accessible in a new ferroic family of materials, i.e., ferrovalley materials, which features the coexistence of spontaneous spin and valley polarization. Although many atomic monolayer materials with hexagonal lattices have been predicted to be ferrovalley materials, no bulk ferrovalley material candidates have been reported or proposed. Here, in this work, we show that a new non-centrosymmetric van der Waals (vdW) semiconductor Cr 0.32 Ga 0.68 Te 2.33 , with intrinsic ferromagnetism, is a possible candidate for bulk ferrovalley material. This material exhibits several remarkable characteristics: (i) it forms a natural heterostructure between vdW gaps, a quasi-two-dimensional (2D) semiconducting Te layer with a honeycomb lattice stacked on the 2D ferromagnetic slab comprised of the (Cr, Ga)-Te layers, and (ii) the 2D Te honeycomb lattice yields a valley-like electronic structure near the Fermi level, which, in combination with inversion symmetry breaking, ferromagnetism, and strong spin-orbit coupling contributed by heavy Te element, creates a possible bulk spin-valley locked electronic state with valley polarization as suggested by our DFT calculations. Further, this material can also be easily exfoliated to 2D atomically thin layers. Therefore, this material offers a unique platform to explore the physics of valleytronic states with spontaneous spin and valley polarization in both bulk and 2D atomic crystals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Rocket drops: The self-propulsion of supercooled freezing drops

Isolated supercooled water drops have been observed to move spontaneously while freezing in vacuum. This motion is caused by an increase of the evaporation rate during the early stages of freezing, which transfers momentum to the drops, similar to rocket propulsion. As in other cases of self-propulsion, symmetry-breaking is necessary, and occurs when ice nucleation occurs away from the center of the drop. The self-propulsion velocity was modeled analytically for a simplified case, and numerically for two experiments. Here, the model predicts peak velocities on the order of 1 m/s in vacuum, and a drop kinematics similar to that observed experimentally. In air, the self-propulsion velocity is expected to be much smaller but may be detectable for micron-sized drops.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Power-law inflation satisfies Penrose’s Weyl curvature hypothesis

Based on entropy considerations and the arrow of time Penrose argued that the Universe must have started in a special initial singularity with vanishing Weyl curvature. This is often interpreted to be at odds with inflation. Here we argue just the opposite, that Penrose’s persuasions are in fact consistent with inflation. Using the example of power law inflation, we show that inflation begins with a past null singularity, where Weyl tensor vanishes when the metric is initially exactly conformally flat. This initial state precisely obeys Penrose’s conditions. The initial null singularity breaks T-reversal spontaneously and picks the arrow of time. It can be regulated and interpreted as a creation of a universe from nothing, initially fitting in a bubble of Planckian size when it materializes. Penrose’s initial conditions are favored by the initial O(4) symmetry of the bubble, selected by extremality of the regulated Euclidean action. The predicted observables are marginally in tension with the data, but they can fit if small corrections to power law inflation kick in during the last 60⁢e-folds.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Majorana neutrinos and dark matter from anomaly cancellation

We discuss a simple theory for neutrino masses where the total lepton number is a local gauge symmetry spontaneously broken below the multi-TeV scale. In this context, the neutrino masses are generated through the canonical seesaw mechanism and a Majorana dark matter candidate is predicted from anomaly cancellation. We discuss in great detail the dark matter annihilation channels and find out the upper bound on the symmetry-breaking scale using the cosmological bounds on the relic density. Since in this context the dark matter candidate has suppressed couplings to the Standard Model quarks, one can satisfy the direct detection bounds even if the dark matter mass is close to the electroweak scale. This theory predicts a light pseudo-Nambu-Goldstone boson (the Majoron) associated to the mechanism of neutrino mass. We discuss briefly the properties of the Majoron and the impact of the big bang nucleosynthesis bounds. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2024

Self-Propulsion by Directed Explosive Emulsification

An active droplet system, programmed to repeatedly move autonomously at a specific velocity in a well-defined direction, is demonstrated. Coulombic energy is stored in oversaturated interfacial assemblies of charged nanoparticle-surfactants by an applied DC electric field and can be released on demand. Spontaneous emulsification is suppressed by an increase in the stiffness of the oversaturated assemblies. Rapidly removing the field releases the stored energy in an explosive event that propels the droplet, where thousands of charged microdroplets are ballistically ejected from the surface of the parent droplet. The ejection is made directional by a symmetry breaking of the interfacial assembly, and the combined interaction force of the microdroplet plume on one side of the droplet propels the droplet distances tens of times its size, making the droplet active. The propulsion is autonomous, repeatable, and agnostic to the chemical composition of the nanoparticles. The symmetry-breaking in the nanoparticle assembly controls the microdroplet velocity and direction of propulsion. Finally, this mechanism of droplet propulsion will advance soft micro-robotics, establishes a new type of active matter, and introduces new vehicles for compartmentalized delivery.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Weak localization as a probe of intervalley coherence in graphene multilayers

Spontaneous intervalley coherence is suspected in several different graphene multilayer systems, but is difficult to confirm because of a paucity of convenient experimental signatures. Here we suggest that magneto-conductance features associated with quantum corrections to Drude conductivity can serve as a smoking gun for intervalley coherence that does not break time-reversal symmetry. In this class of ordered multilayer quantum transport corrections can produce weak localization or weak antilocalization, depending on whether the valley order belongs to the orthogonal or symplectic symmetry class. Our analysis motivates low-temperature weak-field magnetoresistance measurements in graphene multilayers in which time-reversal invariant intervalley coherent order is conjectured.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Electrical control of two-dimensional electron-hole fluids in the quantum Hall regime

We study the influence of quantizing perpendicular magnetic fields on the ground state of a bilayer with electron and hole fluids separated by an opaque tunnel barrier. In the absence of a field, the ground state at low carrier densities is a condensate of s-wave excitons that has spontaneous interlayer phase coherence. We find that a series of phase transitions emerge at strong perpendicular fields between condensed states and incompressible incoherent states with full electron and hole Landau levels. When the electron and hole densities are unequal, condensation can occur in higher angular momentum electron-hole pair states and, at weak fields, break rotational symmetry. Here, we explain how this physics is expressed in dual-gate phase diagrams, and predict transport and capacitively probed thermodynamic signatures that distinguish different states.

36 MATERIALS SCIENCE↗
DOE OSTI2020

2D Ising Model for Adsorption–induced Enantiopurification of Racemates

Mechanisms for the spontaneous transformation of achiral chemical systems into states of enantiomeric purity have important ramifications in modern pharmacology and potential relevance to the origins of homochirality in life on Earth. Such mechanisms for enantiopurification are needed for production of chiral pharmaceuticals and other bioactive compounds. Previously proposed chemical mechanisms leading from achiral systems to near homochirality are initiated by a symmetry–breaking step resulting in a minor excess of one enantiomer via statistical fluctuations in enantiomer concentrations. Subsequent irreversible processes then amplify the majority enantiomer concentration while simultaneously suppressing minority enantiomer production. Herein, equilibrium adsorption of amino acid enantiomer mixtures onto chiral and achiral surfaces reveals amplification of surface enantiomeric excess relative to the gas phase; i. e. enantiopurification of chiral adsorbates by adsorption. Furthermore, this adsorption–induced amplification of enantiomeric excess is shown to be well–describe by the 2D Ising model. More importantly, the 2D–Ising model predicts formation of homochiral monolayers from adsorption of racemic mixtures or prochiral molecules on achiral surfaces; i.e. enantiopurification with no apparent chiral driving force.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Critical behavior in a chiral molecular model

Understanding the condensed-phase behavior of chiral molecules is important in biology as well as in a range of technological applications, such as the manufacture of pharmaceuticals. Here, we use molecular dynamics simulations to study a chiral four-site molecular model that exhibits a second-order symmetry-breaking phase transition from a supercritical racemic liquid into subcritical D-rich and L-rich liquids. We determine the infinite-size critical temperature using the fourth-order Binder cumulant, and we show that the finite-size scaling behavior of the order parameter is compatible with the 3D Ising universality class. We also study the spontaneous D-rich to L-rich transition at a slightly subcritical temperature of T = 0.985Tc, and our findings indicate that the free energy barrier for this transformation increases with system size as N2/3, where N is the number of molecules, consistent with a surface-dominated phenomenon. The critical behavior observed herein suggests a mechanism for chirality selection in which a liquid of chiral molecules spontaneously forms a phase enriched in one of the two enantiomers as the temperature is lowered below the critical point. Furthermore, the increasing free energy barrier with system size indicates that fluctuations between the L-rich and D-rich phases are suppressed as the size of the system increases, trapping it in one of the two enantiomerically enriched phases. Such a process could provide the basis for an alternative explanation for the origin of biological homochirality. We also conjecture the possibility of observing nucleation at subcritical temperatures under the action of a suitable chiral external field.

Chemistry↗
DOE OSTI2025

Anomalous U ( 1 ) A couplings and the Columbia plot

When the quark masses are lighter than those in QCD, the standard lore is that a chiral transition of first order must emerge for three light flavors. Recently, however, numerical simulations on the lattice suggest that the chiral transition is of second order in the chiral limit. Using an extended linear sigma model in the mean field approximation, we study the relation between terms which break the anomalous, U ( 1 ) A symmetry and the order of the chiral phase transition, especially how a chiral transition of second order can arise for three massless flavors. We note that in an (unphysical) region of the “Columbia” phase diagram, when the strange quark mass is light and negative, corresponding to topological angle θ = π , the C P symmetry is spontaneously broken. Published by the American Physical Society 2025

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Giant orbital magnetoelectric effect and current-induced magnetization switching in twisted bilayer graphene

Recently, quantum anomalous Hall effect with spontaneous ferromagnetism was observed in twisted bilayer graphenes (TBG) near 3/4 filling. Importantly, it was observed that an extremely small current can switch the direction of the magnetization. This offers the prospect of realizing low energy dissipation magnetic memories. However, the mechanism of the current-driven magnetization switching is poorly understood as the charge currents in graphenes are generally believed to be non-magnetic. In this work, we demonstrate that in TBG, the twisting and substrate induced symmetry breaking allow an out of plane orbital magnetization to be generated by a charge current. Moreover, the large Berry curvatures of the flat bands give the Bloch electrons large orbital magnetic moments so that a small current can generate a large orbital magnetization. We further demonstrate how the charge current can switch the magnetization of the ferromagnetic TBG near 3/4 filling as observed in the experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Programmable catalysis by support polarization: elucidating and breaking scaling relations

The Sabatier principle and the scaling relations have been widely used to search for and screen new catalysts in the field of catalysis. However, these powerful tools can also serve as limitations of catalyst control and breakthrough. To overcome this challenge, this work proposes an efficient method of studying catalyst control by support polarization from first-principles. The results demonstrate that the properties of catalysts are determined by support polarization, irrespective of the magnitude of spontaneous polarization of support. The approach enables elucidating the scaling relations between binding energies at various polarization values of support. Moreover, we observe the breakdown of scaling relations for the surface controlled by support polarization. By studying the surface electronic structure and decomposing the induced charge into contributions from different atoms and orbitals, we identify the inherent structural property of the interface that leads to the breaking of the scaling relations. Specifically, the displacements of the underlying oxide support impose its symmetry on the catalyst, causing the scaling relations between different adsorption sites to break.

Chemical engineering↗
DOE OSTI2025

Research in Theoretical Particle Physics: Neutrino Masses and The Origin of CP-Violation

The main goal of this project was to investigate the theories of neutrino masses at the low scale and the origin of CP-violation in physics beyond the Standard Model. The origin of neutrino masses is one of the most pressing issues in particle physics. In this proposal, we investigated the theories for neutrino masses based on local total lepton number. In these theories anomaly cancellation predicts the existence of extra fermions with lepton number, and one of them is a good dark matter (DM) candidate. The cosmological constraints on the DM relic density implies that the lepton number symmetry breaking scale must be below the multi-TeV scale. Therefore, one can hope to test the origin of neutrino masses in current or future experiments. We investigated in great detail the anomaly cancellation in these gauge theories, study the different mechanisms for neutrino masses, study the predictions for direct and indirect dark matter experiments. Since these theories predict new sources of CP violation, we investigated the predictions for the electric dipole moments (EDM). The Higgs decays and the different signatures at the Large Hadron Collider were investigated in great detail. Finally, we studied the possible baryogenesis mechanisms in these theories in agreement with the EDM, DM and collider constraints. The origin of CP violation in the Standard Model is unknown. In this proposal, we investigated the simplest mechanisms for spontaneous CP-violation to explain the CP-violation in the CKM matrix and the value of the QCD vacuum angle. We discussed the Nelson-Barr mechanism in gauge theories predicting vector-like quarks from anomaly cancellation such as theories for local baryon number. We discussed the Bento-Branco-Parada mechanism in gauge theories to explain the CP-Violation in the CKM matrix. We will investigate models with two Higgs doublets in the context of the minimal theory for quark-lepton unification. We will show the non-decoupling effects in the Higgs sector, the main constraints coming from flavour violating processes when the Yukawa couplings are related by the gauge symmetry in theories for quark-lepton unification. We will investigate the predictions for electric dipole moments in these theories. The possibility to have successful baryogenesis was investigated. Finally, we investigated the relation between CP-violation in the quark and leptonic sectors. The future results from these studies could help us to understand two main issues in physics beyond the Standard Model: The Origin of Neutrino Masses and CP-violation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Electronic glasses from a broken gauge symmetry in disorder-free systems

Glass phases can be stabilized by quenched disorders, as in most spin-glass materials, or self-generated through kinetic freezing in disorder-free systems. A canonical example of the latter is structural glasses, which have been extensively studied for many decades. Yet, how the rugged energy landscape of a glass phase is spontaneously generated in disorder-free systems remains one of the key questions in glass physics. Here, in this work, we present a general electronic mechanism for the emergence of glassy phase using the example of itinerant electrons coupled to XY spins on a lattice. This model can also be viewed as the mean-field theory of a superconducting system with attractive density-density interactions. Intriguingly, the electron gauge symmetry in the strong pairing limit gives rise to a macroscopic degeneracy of XY spins. In the presence of electron hopping that breaks the gauge symmetry, the lifting of the extensive degeneracy leads to a glass phase with disordered pairings. Our findings highlight a scenario in which a glassy state originates from the breaking of quantum gauge symmetry without quenched disorders.

XY model↗
DOE OSTI2024

Generalized models for inflationary preheating: Oscillations and symmetries

The paradigm of the inflationary universe provides a possible explanation for several observed cosmological properties. In order for such solutions to be successful, the universe must convert the energy stored in the inflaton potential into standard model particles through a process known as reheating. In this paper, we reconsider the reheating process for the case where the inflaton potential respects an approximate (but spontaneously broken) conformal symmetry during the reheating epoch. After reviewing the Effective Field Theory of Reheating, we present solutions for the nonlinear oscillations of the inflaton field, derive the corresponding Hill’s equation for the coupled reheating field, and determine the stability diagram for parametric resonance. For this class of models —the simplest realization being a scalar field with a quartic term—the expansion of the universe drives the coupled field toward a more unstable part of parameter space, in contrast to the standard case. We also generalize this class of models to include quadratic breaking terms in the potential during the reheating epoch and address the process of stability in that universality class of models.

Barrowes, Leia [University of Michigan, Ann Arbor]↗
DOE OSTI2022

Topological Antiferromagnetic Van der Waals Phase in Topological Insulator/Ferromagnet Heterostructures Synthesized by a CMOS-Compatible Sputtering Technique

Breaking time-reversal symmetry by introducing magnetic order, thereby opening a gap in the topological surface state bands, is essential for realizing useful topological properties such as the quantum anomalous Hall and axion insulator states. In this work, a novel topological antiferromagnetic (AFM) phase is created at the interface of a sputtered, c-axis-oriented, topological insulator/ferromagnet heterostructure—Bi 2 Te 3 /Ni 80 Fe 20 because of diffusion of Ni in Bi 2 Te 3 (Ni-Bi 2 Te 3 ). The AFM property of the Ni-Bi2Te3 interfacial layer is established by observation of spontaneous exchange bias in the magnetic hysteresis loop and compensated moments in the depth profile of the magnetization using polarized neutron reflectometry. Analysis of the structural and chemical properties of the Ni-Bi2Te3 layer is carried out using selected-area electron diffraction, electron energy loss spectroscopy, and X-ray photoelectron spectroscopy. These studies, in parallel with first-principles calculations, indicate a solid-state chemical reaction that leads to the formation of Ni=Te bonds and the presence of topological antiferromagnetic (AFM) compound NiBi 2 Te 4 in the Ni-Bi 2 Te 3 interface layer. The Neél temperature of the Ni-Bi 2 Te 3 layer is ≈ 63 K, which is higher than that of typical magnetic topological insulators (MTIs). The presented results provide a pathway toward industrial complementary metal-oxide-semiconductor (CMOS)-process-compatible sputtered-MTI heterostructures, leading to novel materials for topological quantum devices.

36 MATERIALS SCIENCE↗