Results for “phase contrast” — Page 19

DOE OSTI2026

MixPI: Mixed-time slicing path integral software for quantized molecular dynamics simulations

We introduce the MixPI software to implement path integral molecular dynamics (PIMD) simulations for the study of condensed phase systems where nuclear quantum effects (NQEs) are important. In contrast to existing PIMD simulation software, MixPI enables the implementation of mixed quantum–classical path integral simulations where only a subset of system degrees of freedom (dofs) are treated quantum mechanically in an extended phase space while the remaining dofs are described classically. We expect this software to be particularly useful for simulations of electron and proton transfer in condensed phase systems, as well as for the study of biological and material systems where only a handful of dofs contribute significantly to the observed NQEs. We demonstrate the use of MixPI in two different systems. The first is a simple water model where we implement a set of mixed quantum–classical simulations to compute average energy and radial distribution functions. We use these simulations to benchmark the effectiveness of MixPI and to demonstrate how it enables systematic investigation into the origin of observed NQEs. We then compute radial distribution functions for a system where MixPI is essential: a solvated metal (M 2+ ) cation described using an explicit quantized electron localized on an M 3+ ion in water.

chemical physics↗

DOE OSTI2026

Visualizing the impact of quenched disorder on 2D electron Wigner solids

Electron Wigner solids (WSs) provide an ideal system for understanding the competing effects of electron–electron and electron–disorder interactions, a central unsolved problem in condensed matter physics. Progress in this topic has been limited by a lack of single-defect-resolved experimental measurements as well as accurate theoretical tools to enable realistic experiment/theory comparison. Here, in this study, we overcome these limitations by combining atomically resolved scanning tunnelling microscopy (STM) with neural-quantum-state quantum Monte Carlo (NQS-QMC) simulation of disordered 2D electron WSs to discover new disorder-induced physical regimes of correlated electron behaviour. STM was used to image the electron density (n e )-dependent evolution of electron WSs in gate-tunable bilayer MoSe 2 (BL-MoSe 2 ) devices with varying long-range (n LR ) and short-range (n SR ) disorder densities. These images were compared with NQS-QMC simulations using realistic disorder maps extracted from experiment, thus allowing the roles of different disorder types to be disentangled. We identify two distinct physical regimes for disordered electron WSs that depend on n SR . For n SR ≲ n e , the WS behaviour is dominated by long-range disorder and features extensive mixed solid–liquid phases, a new type of local re-entrant melting/crystallization and prominent Friedel oscillations. By contrast, when n SR ≫ n e , these features are suppressed and a more robust amorphous WS phase emerges that persists to higher n e , highlighting the importance of short-range disorder in this regime. Our work establishes a powerful framework for studying disordered quantum solids through a combined experimental–theoretical approach.

Ge, Zhehao [University of California, Berkeley, CA↗

DOE OSTI2024

High pressure melt line of nickel using a generalized embedded atomic method potential

As the second most abundant metal in the Earth's core, nickel plays an important role in determining the structure and temperature of the Earth's core. Yet, the melt line of Ni at pressures corresponding to the Earth's core has not been explored in the literature. Many previous experimental and simulation efforts have reported the melting point of Ni at pressures below 100 GPa, but there exist large discrepancies, most of which have persisted due to various experimental and simulation bottlenecks in handling extreme pressure and temperature conditions. We adopted the generalized embedded atom method, which overcomes the limitations of existing interatomic potentials, to probe phase stability and phase boundaries of Ni at pressures between 50 and 500 GPa. Further, the potential was validated by comparing the cold curves, phonon dispersion curves, and enthalpies of fusion with ab initio density functional theory calculations. Our analysis shows that face centered cubic (FCC) is stable, and the hexagonal close packed (HCP) and body centered cubic (BCC) phases are metastable close to the melt line. Melting temperatures at different pressures were obtained from two-phase co-existence simulations and take the following functional form: $T$ m = $1969.23+19.15P-0.012P$ 2 . In contrast to iron, differences between the melting points of the stable and metastable phases of Ni are less than 250 K at 300 GPa, and the difference in melting points of the metastable BCC and HCP phases changes sign at 500 GPa, which implies that the phase transition mechanisms during solidification can be very complex.

36 MATERIALS SCIENCE↗

NASA NTRS2003

A Novel Method of High Accuracy, Wavefront Phase and Amplitude Correction for Coronagraphy

Detection of extra-solar, and especially terrestrial-like planets, using coronagraphy requires an extremely high level of wavefront correction. For example, the study of Woodruff et al. (2002) has shown that phase uniformity of order approximately 1e-4 waves(rms) must be achieved over the critical range of spatial frequencies to produce the approximately le10 contrast needed for the Terrestrial Planet Finder (TPF) mission. Correction of wavefront phase errors to this level may be accomplished by using a very high precision deformable mirror (DM). However, not only phase but also amplitude uniformity of the same scale (le-4) and over the same spatial frequency range must be simultaneously obtained to remove all residual speckle in the image plane. We present a design for producing simultaneous wavefront phase and amplitude uniformity to high levels from an input wavefront of lower quality. The design uses a dual Michelson interferometer arrangement incorporating two DMs and a single, fixed mirror (all at pupils) and two beamsplitters: one with unequal (asymmetric) beam splitting and one with symmetric beam splitting. This design allows high precision correction of both phase and amplitude using DMs with relatively coarse steps, and permits a simple correction algorithm.

Bowers, Charles W.↗

NASA NTRS2017

Significant and Variable Linear Polarization During the Prompt Optical Flash of GRB 160625B

Measurement of polarized light provides a direct probe of magnetic fields in collimated outflows (jets) of relativistic plasma from accreting stellar-mass black holes at cosmological distances. These outflows power brief and intense flashes of prompt gamma-rays known as Gamma Ray Bursts (GRBs), followed by longer-lived afterglow radiation detected across the electromagnetic spectrum. Rapid-response polarimetric observations of newly discovered GRBs have probed the initial afterglow phase. Linear polarization degrees as high as Π∼30% are detected minutes after the end of the prompt GRB emission, consistent with a stable, globally ordered magnetic field permeating the jet at large distances from the central source. In contrast, optical and gamma-ray observations during the prompt phase led to discordant and often controversial results, and no definitive conclusions on the origin of the prompt radiation or the configuration of the magnetic field could be derived. Here we report the detection of linear polarization of a prompt optical flash that accompanied the extremely energetic and long-lived prompt gamma-ray emission from GRB 160625B. Our measurements probe the structure of the magnetic field at an early stage of the GRB jet, closer to the central source, and show that the prompt GRB phase is produced via fast cooling synchrotron radiation in a large-scale magnetic field advected from the central black hole and distorted from dissipation processes within the jet.

High-energy astrophysics↗

NASA NTRS2017

Significant and Variable Linear Polarization During the Prompt Optical Flash of GRB 160625B

Measurement of polarized light provides a direct probe of magnetic fields in collimated outflows (jets) of relativistic plasma from accreting stellar-mass black holes at cosmological distances. These outflows power brief and intense flashes of prompt gamma-rays known as Gamma Ray Bursts (GRBs), followed by longer-lived afterglow radiation detected across the electromagnetic spectrum. Rapid-response polarimetric observations of newly discovered GRBs have probed the initial afterglow phase. Linear polarization degrees as high as Π∼30% are detected minutes after the end of the prompt GRB emission, consistent with a stable, globally ordered magnetic field permeating the jet at large distances from the central source. In contrast, optical and gamma-ray observations during the prompt phase led to discordant and often controversial results, and no definitive conclusions on the origin of the prompt radiation or the configuration of the magnetic field could be derived. Here we report the detection of linear polarization of a prompt optical flash that accompanied the extremely energetic and long-lived prompt gamma-ray emission from GRB 160625B. Our measurements probe the structure of the magnetic field at an early stage of the GRB jet, closer to the central source, and show that the prompt GRB phase is produced via fast cooling synchrotron radiation in a large-scale magnetic field advected from the central black hole and distorted from dissipation processes within the jet.

High-energy astrophysics↗

DOE OSTI2026

Pulsed laser synthesis of mesoporous metal chalcogenide thin films

Mesoporous films of the metal chalcogenide B-FeSe were grown on MgO substrates by KrF pulsed laser deposition (PLD) in an argon background. At 100 mTorr, gated intensified charge-coupled device imaging and ion probe measurements showed that the plasma plume responsible for crystal growth initially comprised three components, with distinct expansion velocities. Plume interactions with the substrate heater and ablation target gave rise to complex dynamics, including collisions between the charged leading edge—rebounding between the substrate and the target—and slower-moving species in the plume interior. Film growth was dominated by species with kinetic energies ≤0.5 eV/atom. X-ray reflectivity revealed that films grown in this environment—with a substrate temperature of 350 ° C, a laser fluence of 1.0 J cm −2 , and a 7.5 mm 2 spot area—formed a porous framework with 15% porosity. Atomic force microscopy showed surface features that suggest pore sizes below 100 nm. X-ray diffraction indicated that the porous films were epitaxial with respect to the substrate and likely grew by oriented-attachment of gas-phase molecular clusters or very small nanoparticles, in contrast to the conventional epitaxy of vacuum films from atomic constituents. The in-plane orientation of the mesoporous films was B-FeSe [100]||[110] MgO, attributed to the soft landing of pre-formed crystallites on the MgO substrates, where protruding Se rows of B-FeSe aligned with corrugations of the MgO surface. In conclusion, this work implies that growth of candidate electrocatalyst materials by PLD in inert gas background may allow mesoporous frameworks with a single crystallographic orientation that expose specific crystal facets for electrochemical reactions and active site engineering.

cluster epitaxy↗

NASA NTRS1987

High-pressure study of the new Y-Ba-Cu-O superconducting compound system

Hydrostatic effects on the superconducting transition temperature of the Y-Ba-Cu-O compound system, resistively, up to 19 kbar are investigated. It is found that pressure has little effect on the superconducting state of Y-Ba-Cu-O, in marked contrast to the behavior of the K2NiF4-phase La-Ba-Cu-O and La-Sr-Cu-O systems. It is suggested that this effect may be due to chemical pressure associated with the smaller Y atoms already present in Y-Ba-Cu-O. X-ray powder-diffraction studies show that the high-temperature superconductivity in Y-Ba-Cu-O can only be attributed to one or more phases with structures different from the cubic perovskite or tetragonal layered ones.

Hor, P. H.↗

NASA NTRS1993

Hard turbulent thermal convection and thermal evolution of the mantle

Hard turbulent convection is investigated using laboratory experiments and numerical simulations. In Newtonian mantle convection, the appearance of disconnected plumes marks the transition from soft to hard turbulence. For non-Newtonian rheology, the transition to hard turbulence takes place at much lower Nusselt numbers than it does for Newtonian rheology. This has important ramifications for the mantle. Large curvatures are developed in the trajectories of non-Newtonian plumes in the hard turbulent regime, in contrast to the trajectories of Newtonian plumes. When phase transitions are considered, mantle convection tends to become more layered with increasing Rayleigh numbers. The manner of mantle convection might have changed with time from a layered to a more whole mantle type of flow. Superplume events could have been caused by catastrophic overturns associated with strong gravitational instabilities in the transition zone.

Yuen, D. A.↗

NASA NTRS2001

Normal human mammary epithelial cells spontaneously escape senescence and acquire genomic changes

Senescence and genomic integrity are thought to be important barriers in the development of malignant lesions. Human fibroblasts undergo a limited number of cell divisions before entering an irreversible arrest, called senescence. Here we show that human mammary epithelial cells (HMECs) do not conform to this paradigm of senescence. In contrast to fibroblasts, HMECs exhibit an initial growth phase that is followed by a transient growth plateau (termed selection or M0; refs 3-5), from which proliferative cells emerge to undergo further population doublings (approximately 20-70), before entering a second growth plateau (previously termed senescence or M1; refs 4-6). We find that the first growth plateau exhibits characteristics of senescence but is not an insurmountable barrier to further growth. HMECs emerge from senescence, exhibit eroding telomeric sequences and ultimately enter telomere-based crisis to generate the types of chromosomal abnormalities seen in the earliest lesions of breast cancer. Growth past senescent barriers may be a pivotal event in the earliest steps of carcinogenesis, providing many genetic changes that predicate oncogenic evolution. The differences between epithelial cells and fibroblasts provide new insights into the mechanistic basis of neoplastic transformation.

NASA Discipline Radiation Health↗

NASA NTRS2021

Direct Measurements of Infrared Intensities of HCN and H2O + HCN Ices for Laboratory and Observational Astrochemistry

Hydrogen cyanide (HCN) is found in a wide variety of extraterrestrial environments within and beyond the solar system, and for that reason laboratory spectroscopists have studied this compound in many spectral regions, including the infrared (IR). However, one aspect that remains to be investigated is the intrinsic IR spectral intensities of solid HCN as opposed to relative band strengths, intrinsic intensities being needed to measure HCN abundances. Here we report measurements of IR absorption coefficients and band strengths, along with supporting refractive indices and densities, of both amorphous and crystalline HCN at two temperatures, one for interstellar work and one more relevant to the outer solar system. Spectra are presented at both temperatures, along with optical constants that can be used in numerical models. Despite widespread and longstanding interest in and investigations of solid HCN, this is the first time that the properties we are reporting have been measured in a single laboratory, avoiding the need for estimates or to combine results from various authors. We find that our measured band strength of ~1 × 1017 cm molecule1 for the CN vibration of HCN, in both amorphous HCN and in an H2O-rich ice, is substantially higher than an earlier estimate. Unless errors of 100% can be tolerated then our new value requires a rescaling of earlier work. Our results shed light on why HCN and other nitriles have been so difficult to identify in the solid state, in contrast to their many detections in the gas phase.

astrochemistry – methods: laboratory – solid state↗

NASA NTRS2021

Direct Measurements of Infrared Intensities of HCN and H2O + HCN Ices for Laboratory and Observational Astrochemistry

Hydrogen cyanide (HCN) is found in a wide variety of extraterrestrial environments within and beyond the solar system, and for that reason laboratory spectroscopists have studied this compound in many spectral regions, including the infrared (IR). However, one aspect that remains to be investigated is the intrinsic IR spectral intensities of solid HCN as opposed to relative band strengths, intrinsic intensities being needed to measure HCN abundances. Here we report measurements of IR absorption coefficients and band strengths, along with supporting refractive indices and densities, of both amorphous and crystalline HCN at two temperatures, one for interstellar work and one more relevant to the outer solar system. Spectra are presented at both temperatures, along with optical constants that can be used in numerical models. Despite widespread and longstanding interest in and investigations of solid HCN, this is the first time that the properties we are reporting have been measured in a single laboratory, avoiding the need for estimates or to combine results from various authors. We find that our measured band strength of ~1 × 1017 cm molecule1 for the CN vibration of HCN, in both amorphous HCN and in an H2O-rich ice, is substantially higher than an earlier estimate. Unless errors of 100% can be tolerated then our new value requires a rescaling of earlier work. Our results shed light on why HCN and other nitriles have been so difficult to identify in the solid state, in contrast to their many detections in the gas phase.

astrochemistry – methods: laboratory – solid state↗

DOE OSTI2025

Electromagnetic response and emergent topological orders in transition metal dichalcogenide MoTe 2 bilayers

Twisted bilayer transition metal dichalcogenides, such as MoTe 2 , provide a versatile platform for exploring correlated topological phases. This work investigates the interplay between perpendicular magnetic and electric fields in tuning the electronic structure and emergent topological orders of twisted bilayer MoTe 2 (t-MoTe 2 ) across two distinct regimes: a low-twist-angle phase (θ ≈ 2.1°) hosting multiple Chern bands of identical Chern numbers per valley, and a higher-angle phase (θ ≈ 3.89°) featuring Haldane-like bands with opposite Chern numbers. Using a continuum model incorporating moiré potentials up to second harmonics, we compute the Hofstadter fractal spectra under applied fields, revealing Landau fan structures and magnetic-flux-dependent band topology. These fractal spectra are useful in studying emergent topological orders in terms of the composite fermion picture, where the statistical Chern-Simons flux is approximated as a uniform gauge field. We demonstrate that the system hosts both Jain-sequence fractional Chern insulators (FCIs) and non-Jain fractal FCIs with higher Chern numbers. As a result, the electric field suppresses composite fermion gaps and induces topological quantum phase transitions. Furthermore, our analysis extends to valley-contrasting flux attachment, proposing pathways to describe fractional quantum spin Hall states.

Anyons↗

NASA NTRS1994

Quasi-biennial oscillation and tropical waves in total ozone

Westward and eastward propagating tropical waves in total ozone are investigated in 13 years (1979-1991) of version 6 total column ozone data from the Nimbus 7 total ozone mapping spectrometer (TOMS) satellite instrument. A clear synchronization between the stratospheric quasi-biennial osciallation (QBO) zonal winds and the fast (periods less than 15 days) propagating waves in tropical TOMS data is detailed. Largest total ozone wave amplitudes (about 3-6 Dobson units) occur when their phase propagation direction is primarily opposite the Singapore QBO lower-stratospheric winds. This effect is most apparent in meridionally symmetric components. Examination of specific episodes, including cross-spectral calculations with Singapore rawinsonde wind data (10-70 hPa), reveals signatures of tropically confined eastward propagating Kelvin waves of zonal wavenumbers 1-2 during the descending eastward QBO phase, consistent with acceleration of that QBO phase by Kelvin waves. The TOMS results are also consistent with possible forcing of the westward QBO wind phase by episodes of both meridionally symmetric and asymmetric westward waves. However, in contrast to the case of eastward (Kelvin) waves the strongest westward events appear to be filtered by, rather than forcing, the westward phase of the stratospheric QBO wind. These dominant westward episodes are interpreted as meridionally symmetric westward global normal modes and tropically confined equatorial-Rossby waves 2-6. The events exhibit phase and group speeds characteristic of wave dynamics rather than simple wind advection. These results underscore the utility of the long time series and excellent horizontal coverage of TOMS data for dynamical investigations in the relatively observation-poor tropical stratosphere.

Ziemke, J. R.↗

NASA NTRS2003

A Novel Method of High Accuracy, Wavefront Phase and Amplitude Correction for Coronagraphy

Detection of extra-solar, and especially terrestrial-like planets, using coronagraphy requires an extremely high level of wavefront correction. For example, the study of Woodruff et al. (2002) has shown that phase uniformity of order 10(exp -4)lambda(rms) must be achieved over the critical range of spatial frequencies to produce the approx. 10(exp 10) contrast needed for the Terrestrial Planet Finder (TPF) mission. Correction of wavefront phase errors to this level may be accomplished by using a very high precision deformable mirror (DM). However, not only phase but also amplitude uniformity of the same scale (10(exp -4)) and over the same spatial frequency range must be simultaneously obtained to remove all residual speckle in the image plane. We present a design for producing simultaneous wavefront phase and amplitude uniformity to high levels from an input wavefront of modest quality. The design uses a dual Michelson interferometer arrangement incorporating two DMs and a single, fixed mirror (all at pupils) and two beamsplitters: one with unequal (asymmetric) beam splitting and one with symmetric beam splitting. This design allows high precision correction of both phase and amplitude using DMs with relatively coarse steps, is substantially achromatic and permits a simple correction algorithm.

Bowers, Charles W.↗

NASA NTRS2003

A Novel Method of High Accuracy, Wavefront Phase and Amplitude Correction for Coronagraphy

Detection of extra-solar, and especially terrestrial-like planets, using coronagraphy requires an extremely high level of wavefront correction. For example, the study of Woodruff et al. (2002) has shown that phase uniformity of order 10(exp -4)lambda(rms) must be achieved over the critical range of spatial frequencies to produce the approx. 10(exp 10) contrast needed for the Terrestrial Planet Finder (TPF) mission. Correction of wavefront phase errors to this level may be accomplished by using a very high precision deformable mirror (DM). However, not only phase but also amplitude uniformity of the same scale (approx. 10(exp -4)) and over the same spatial frequency range must be simultaneously obtained to remove all residual speckle in the image plane. We present a design for producing simultaneous wavefront phase and amplitude uniformity to high levels from an input wavefront of lower quality. The design uses a dual Michelson interferometer arrangement incorporating two DM and a single, fixed mirror (all at pupils) and two beamsplitters: one with unequal (asymmetric) beam splitting and one with symmetric beam splitting. This design allows high precision correction of both phase and amplitude using DM with relatively coarse steps and permits a simple correction algorithm.

Bowers, Charles W.↗

DOE OSTI2025

Competing Electronic Ground States in the Heavy-Fermion Superconductor CeRh 2 As 2

CeRh 2 ⁢As 2 is rare among superconductors, in that the magnetic field tunes it between two distinct superconducting phases. Combined with a lack of local inversion symmetry and an upper critical field exceeding the Pauli paramagnetic limit, this excitingly suggests triplet multicomponent superconductivity. Preceding the superconducting onset, 𝑓-electron correlations cause long-range order, attributed both to local antiferromagnetism and itinerant (quadrupole) density waves. A magnetic field provides a significant perturbation of the 𝑓 electrons and may reveal the nature of the many-body correlations. Therefore, we report comprehensive magnetization and magnetotransport studies on microstructured devices in fields of up to 73 T. Applied along the 𝑐 axis, the field causes a low-temperature change of majority (hole) carrier density at 𝜇 0⁢ 𝐻 ≈ 2⁢4 T. By contrast, in-plane fields produce a cascade of phase transitions; the field-induced in-plane conductivity anisotropy and lack of accompanying magnetic features, plus the closed-dome nature of the overall phase boundary is consistent with a hierarchy of field-induced density-wave states.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Algebraic Hastatic Order in One-Dimensional Two-Channel Kondo Lattice

The two-channel Kondo lattice likely hosts a rich array of phases, including hastatic order, a channel symmetry breaking heavy Fermi liquid. In this work, we revisit its one-dimensional phase diagram using density matrix renormalization group and, in contrast to previous work, find algebraic hastatic orders generically for stronger couplings. These are heavy Tomonaga-Luttinger liquids with nonanalyticities at Fermi vectors captured by hastatic density waves. We also find a predicted additional nonlocal order parameter due to interference between hastatic spinors, not present at large N, and residual repulsive interactions at strong coupling suggesting non-Fermi-liquid physics in higher dimensions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗