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At least 163 records · Page 9

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Membrane interactions of the globular domain and the hypervariable region of KRAS4b define its unique diffusion behavior

The RAS proteins are GTP-dependent switches that regulate signaling pathways and are frequently mutated in cancer. RAS proteins concentrate in the plasma membrane via lipid-tethers and hypervariable region side-chain interactions in distinct nano-domains. However, little is known about RAS membrane dynamics and the details of RAS activation of downstream signaling. Here, we characterize RAS in live human and mouse cells using single-molecule-tracking methods and estimate RAS mobility parameters. KRAS4b exhibits confined mobility with three diffusive states distinct from the other RAS isoforms (KRAS4a, NRAS, and HRAS); and although most of the amino acid differences between RAS isoforms lie within the hypervariable region, the additional confinement of KRAS4b is largely determined by the protein’s globular domain. To understand the altered mobility of an oncogenic KRAS4b, we used complementary experimental and molecular dynamics simulation approaches to reveal a detailed mechanism.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Photoionization of open-shell nitrogen confined in C 60

Here, endofullerene photoionization of open-shell N@C 60 is investigated using a coupled-channel, correlated R-matrix approach with additional modifications for a finite spherical-shell fullerene potential. Particular focus is on the initial-state dependence of the photoionization cross section. Comparisons show significant differences between the 1s 2 2s 2 2p 3 ( 4 S) initial state and the metastable 2 D and 2 P states, as well as strong confinement oscillations.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2023

Thermal equilibrium of collisional non-neutral plasma in a magnetic dipole trap

This paper discusses thermal equilibrium states of single-species plasmas, such as pure electron plasmas and pure positron plasmas, that are confined in a dipole trap. Thermal equilibrium states for such plasmas are routinely realized in the homogeneous magnetic field of Penning–Malmberg traps. We generalize the theory of these states to include inhomogeneous magnetic dipole fields. The approach to thermal equilibrium takes place in two stages with well separated time scales. On the collision time scale, thermal equilibrium is established along each magnetic field line. On the much longer transport time scale, heat conduction and viscosity bring the plasmas on different flux contours into thermal equilibrium, we call this a state of global thermal equilibrium. We present numerical results for local and global thermal equilibria. These results agree with the analytic predictions for charge collections that are large compared with the Debye length. There is, in principle, no limit to the confinement time of a single-species plasma in a global thermal equilibrium state. Experiments with hot electron–ion plasmas performed in the LDX and RT1 devices give us confidence that, in contrast to a Penning–Malmberg trap, a magnetic dipole field can also confine cold quasi-neutral electron–positron pair plasmas on the time scale of the phenomena of interest. Such pair plasmas are assumed to form in the magnetosphere of neutron stars but have so far not been realized in a laboratory. The creation of an electron–positron pair plasma is the main goal of the APEX collaboration.

Steinbrunner, P. (ORCID:0000000317693686)↗

NASA NTRS1990

Analysis of energy states in modulation doped multiquantum well heterostructures

A precise and effective numerical procedure to model the band diagram of modulation doped multiquantum well heterostructures is presented. This method is based on a self-consistent iterative solution of the Schroedinger equation and the Poisson equation. It can be used rather easily in any arbitrary modulation-doped structure. In addition to confined energy subbands, the unconfined states can be calculated as well. Examples on realistic device structures are given to demonstrate capabilities of this procedure. The numerical results are in good agreement with experiments. With the aid of this method the transitions involving both the confined and unconfined conduction subbands in a modulation doped AlGaAs/GaAs superlattice, and in a strained layer InGaAs/GaAs superlattice are identified. These results represent the first observation of unconfined transitions in modulation doped multiquantum well structures.

Ji, G.↗

DOE OSTI2022

Liberating a hidden antiferroelectric phase with interfacial electrostatic engineering

Antiferroelectric materials have seen a resurgence of interest because of proposed applications in a number of energy-efficient technologies. Unfortunately, relatively few families of antiferroelectric materials have been identified, precluding many proposed applications. Here, we propose a design strategy for the construction of antiferroelectric materials using interfacial electrostatic engineering. We begin with a ferroelectric material with one of the highest known bulk polarizations, BiFeO 3 . By confining thin layers of BiFeO 3 in a dielectric matrix, we show that a metastable antiferroelectric structure can be induced. Application of an electric field reversibly switches between this new phase and a ferroelectric state. The use of electrostatic confinement provides an untapped pathway for the design of engineered antiferroelectric materials with large and potentially coupled responses.

42 ENGINEERING↗

NASA NTRS1974

Spectroscopic results in helium from the NASA Lewis Bumpy Torus plasma

Spectroscopic measurements were carried out on the NASA Lewis Bumpy Torus experiment in which a steady state ion heating method based on the modified Penning discharge is applied in a bumpy torus confinement geometry. Electron temperatures in pure helium are measured from the ratio of spectral line intensities. Measured electron temperatures range from 10 to 100 eV. Relative electron densities are also measured over the range of operating conditions. Radial profiles of temperature and relative density are measured in the two basic modes of operation of the device called the low and high pressure modes. The electron temperatures are used to estimate particle confinement times based on a steady state particle balance.

Richardson, R. W.↗

NASA NTRS1974

Spectroscopic results in helium from the NASA Lewis Bumpy Torus plasma

Spectroscopic measurements have been carried out on the NASA Lewis Bumpy Torus experiment in which a steady state ion heating method based on the modified Penning discharge is applied in a bumpy torus confinement geometry. Electron temperatures in pure helium are measured from the ratio of spectral line intensities. Measured electron temperatures range from 10 to 100 eV. Relative electron densities are also measured over the range of operating conditions. Radial profiles of temperature and relative density are measured in the two basic modes of operation of the device called the low and high pressure modes. The electron temperatures are used to estimate particle confinement times based on a steady state particle balance.

Richardson, R. W.↗

DOE OSTI2025

Charged- and Multi-Exciton Dynamics in Colloidal Quantum Dot Molecules

Multicarrier states in quantum dots are confined to small volumes, resulting in increased nonradiative Auger recombination rates with implications for different optoelectronic applications. Recently, the fusion of two core-shell quantum dots into a dimer has provided a new physical landscape for multiexciton states, since the excitons may share a core (intradot, localized) or occupy different cores (interdot, segregated). Here, in this study, we employ transient absorption spectroscopy to investigate the multiexciton dynamics in coupled quantum dot dimers. We observe that multiexciton populations in the dimers live significantly longer in comparison to the parent monomers, in contrast to the single exciton regime. A kinetic model that accounts for the statistical differences between monomers and dimers reveals that, while intradot multiexcitons show Auger rates similar to the monomers, interdot states have reduced Auger rates. These results pave the way for the rational design of new quantum dot molecules with tailored multiexciton properties.

Auger recombination↗

DOE OSTI2025

Shape-anisotropy inverses the behavior of emergent vortices in active chiral fluids

Active colloidal fluids exhibit spontaneous emergence of correlated states, characterized by complex collective dynamics and self-organization. In geometrically confined systems, activity modulations trigger robust polar state reversals of a macroscopic vortex formed by colloidal rollers. Here, we reveal that the shape anisotropy of dielectric rollers transforms the system into a chiral active fluid comprised of rollers of arbitrary handedness. The chiral rollers self-assemble into multiple freestanding vortices with a spontaneously selected sense of rotation. We demonstrate that upon reactivation of the system after a complete cessation of activity beyond all relevant timescales, the vortices simultaneously restore their previous chiral states in striking contrast to the chiral state reversals demonstrated by spherical rollers. The analysis reveals that shape-anisotropy modifies the collective state memory of the ensemble. The findings provide insights into the emergence of complex collective behavior in chiral colloidal fluids governed by an interplay between shape anisotropy, chiral motion, and activity modulations.

Colloids↗

DOE OSTI2020

Quantum-well states in fractured crystals of the heavy-fermion material CeCoIn5

Quantum-well states appear in metallic thin films due to the confinement of the wave function by the film interfaces. Using angle-resolved photoemission spectroscopy, we unexpectedly observe quantum-well states in fractured single crystals of CeCoIn5. We confirm that confinement occurs by showing that these states’ binding energies are photon-energy independent and are well described with a phase accumulation model, commonly applied to quantum-well states in thin films. This indicates that atomically flat thin films can be formed by fracturing hard single crystals. For the two samples studied, our observations are explained by free-standing flakes with thicknesses of 206 and 101 Å. We extend our analysis to extract bulk properties of CeCoIn5. Specifically, we obtain the dispersion of a three-dimensional band near the zone center along in-plane and out-of-plane momenta. We establish part of its Fermi surface, which corresponds to a hole pocket centered at G. We also reveal a change of its dispersion with temperature, a signature that may be caused by the Kondo hybridization.

36 MATERIALS SCIENCE↗

DOE OSTI2020

High-temperature and high-pressure NMR investigations of low viscous fluids confined in mesoporous systems

Abstract In this contribution, the relaxation and diffusional behaviors of low viscous fluids, water and methanol confined into mesoporous silica and controlled size pore glass were investigated. The engineered porous systems are relevant to geologically important subsurface energy materials. The engineered porous proxies were characterized by Brunauer–Emmett–Teller (BET) surface analyzer, nuclear magnetic resonance (NMR) spectroscopy, and electron microscopy (EM) to determine surface area, pore-wall protonation and morphology of these materials, respectively. The confined behavior of the low viscous fluids was studied by varying pore diameter, fluid-to-solid ratio, temperature, and pressure, and then compared to bulk liquid state. Both relaxation and diffusion behaviors for the confined fluids showed increasing deviation from pure bulk fluids as the fluid-to-solid ratio was decreased, and surface-to-volume ratio ( S / V ) was varied. Variable pressure deuteron NMR relaxation of confined D 2 O and confined methanol, deuterated at the hydroxyl or methyl positions, were performed to exploit the sensitivity of the deuteron quadrupole moment to molecular rotation. The methanol results demonstrated greater pressure dependence than those for water only in bulk. The deviations from bulk liquid behavior arise from different reasons such as confinement and the interactions between confined fluid and the nano-pore wall. The results of the present report give insight into the behavior of low viscosity fluid in nano-confined geometries under different state conditions.

Chemistry↗

NASA NTRS1995

Low-frequency variability and wavenumber selection in models with zonally symmetric forcing

The authors consider a two-layer quasigeostrophic model with linear surface drag and forcing that relaxes to a zonal baroclinically unstable equilibrium state consisting of a meridionally confined temperature gradient. It is observed that the most energetic wave in the time-mean climate has near zero frequency and is not driven by upscale nonlinear energy transfers. This wave has a zonal scale near the long-wave cutoff of the equilibrium state, and its energy balance is mainly between baroclinic generation and dissipation. This maintenance mechanism is different from that suggested by beta-plane, two-dimensional, and quasigeostrophic turbulence arguments and may be relevant to the dynamics of zonally asymmetric low-frequency variability in the atmosphere, particularly in the Southern Hemisphere.

Whitaker, Jeffrey S.↗

DOE OSTI2024

Enhanced quantum state transfer by circumventing quantum chaotic behavior

The ability to realize high-fidelity quantum communication is one of the many facets required to build generic quantum computing devices. In addition to quantum processing, sensing, and storage, transferring the resulting quantum states demands a careful design that finds no parallel in classical communication. Existing experimental demonstrations of quantum information transfer in solid-state quantum systems are largely confined to small chains with few qubits, often relying upon non-generic schemes. Here, by using a superconducting quantum circuit featuring thirty-six tunable qubits, accompanied by general optimization procedures deeply rooted in overcoming quantum chaotic behavior, we demonstrate a scalable protocol for transferring few-particle quantum states in a two-dimensional quantum network. These include single-qubit excitation, two-qubit entangled states, and two excitations for which many-body effects are present. Our approach, combined with the quantum circuit’s versatility, paves the way to short-distance quantum communication for connecting distributed quantum processors or registers, even if hampered by inherent imperfections in actual quantum devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Stability of perpendicular magnetohydrodynamic shocks in materials with ideal and nonideal equations of state

Magnetized target fusion approach to inertial confinement fusion involves the formation of strong shocks that travel along a magnetized plasma. Shocks, which play a dominant role in thermalizing the upstream kinetic energy generated in the implosion stage, are seldom free from perturbations, and they wrinkle in response to upstream or downstream disturbances. In Z-pinch experiments, significant plasma instability mitigation was observed with pre-embedded axial magnetic fields. To isolate effects, in this work we theoretically study the impact of perpendicular magnetic fields on the planar shock dynamics for different equations of state. For fast magnetosonic shocks in ideal gases, it was found that the magnetic field amplifies the intensity of the perturbations when $\gamma$ > 2 or it weakens them when $\gamma$ < 2. Weak shocks have been found to be stable regardless of the magnetic plasma intensity and gas compressibility; however, for sufficiently strong shocks the magnetic fields can promote a neutral stability/SAE at the shock if the adiabatic index is higher than 1 + $\sqrt{2}$. Finally, results have been validated with numerical simulations performed with the FLASH code.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Directing the Rate‐Enhancement for Hydronium Ion Catalyzed Dehydration via Organization of Alkanols in Nanoscopic Confinements

Abstract Alkanol dehydration rates catalyzed by hydronium ions are enhanced by the dimensions of steric confinements of zeolite pores as well as by intraporous intermolecular interactions with other alkanols. The higher rates with zeolite MFI having pores smaller than those of zeolite BEA for dehydration of secondary alkanols, 3‐heptanol and 2‐methyl‐3‐hexanol, is caused by the lower activation enthalpy in the tighter confinements of MFI that offsets a less positive activation entropy. The higher activity in BEA than in MFI for dehydration of a tertiary alkanol, 2‐methyl‐2‐hexanol, is primarily attributed to the reduction of the activation enthalpy by stabilizing intraporous interactions of the C β ‐H transition state with surrounding alcohol molecules. Overall, we show that the positive impact of zeolite confinements results from the stabilization of transition state provided by the confinement and intermolecular interaction of alkanols with the transition state, which is impacted by both the size of confinements and the structure of alkanols in the E1 pathway of dehydration.

Shetty, Manish↗

DOE OSTI2020

Directing the Rate‐Enhancement for Hydronium Ion Catalyzed Dehydration via Organization of Alkanols in Nanoscopic Confinements

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Classical and quantum simulations of 1+1-dimensional ${\mathbb{Z}}_{2}$ gauge theory at finite temperature and density

Simulating strongly coupled gauge theories at finite temperature and density is a longstanding challenge in nuclear and high-energy physics with fundamental implications for condensed matter physics. Here, we simulate such systems using minimally entangled typical thermal state (METTS) approaches, which combine classical random sampling with imaginary-time evolution, implementable on either classical or quantum computers, to estimate thermal averages of observables. We study 1+1-dimensional ${\mathbb{Z}}_{2}$ gauge theory coupled to spinless fermionic matter, which maps onto a local quantum spin chain. We benchmark both a classical matrix-product-state implementation of METTS and a recently proposed adaptive variational approach for near-term quantum devices, focusing on the equation of state and measures of fermion confinement. Of particular importance is the choice of basis for METTS sampling, which impacts both the sampling overhead and quantum circuit complexity. Our work sets the stage for future studies of strongly coupled gauge theories using classical and quantum hardware.

Chen, I-Chi [Iowa State Univ., Ames, IA (United St↗

DOE OSTI2023

Study of gapped phases of 4d gauge theories using temporal gauging of the ℤN 1-form symmetry

To study gapped phases of 4d gauge theories, we introduce the temporal gauging of Z N 1-form symmetry in 4d quantum field theories (QFTs), thereby defining effective 3d QFTs with $\tilde{Z}_N$ × Z N 1-form symmetry. In this way, spatial fundamental Wilson and ’t Hooft loops are simultaneously genuine line operators. Assuming a mass gap and Lorentz invariant vacuum of the 4d QFT, the $\tilde{Z}_N$ × Z N symmetry must be spontaneously broken to an order-N subgroup H, and we can classify the 4d gapped phases by specifying H. This establishes the 1-to-1 correspondence between the two classification schemes for gapped phases of 4d gauge theories: one is the conventional Wilson-’t Hooft classification, and the other is the modern classification using the spontaneous breaking of 4d 1-form symmetry enriched with symmetry-protected topological states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗