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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

Can Eccentric Debris Disks Be Long-lived? A First Numerical Investigation and Application to Zeta(exp 2) Reticuli

Context. Imaging of debris disks has found evidence for both eccentric and offset disks. One hypothesis is that they provide evidence for massive perturbers, for example, planets or binary companions, which sculpt the observed structures. One such disk was recently observed in the far-IR by the Herschel Space Observatory around Zeta2 Reticuli. In contrast with previously reported systems, the disk is significantly eccentric, and the system is several Gyr old. Aims. We aim to investigate the long-term evolution of eccentric structures in debris disks caused by a perturber on an eccentric orbit around the star. We hypothesise that the observed eccentric disk around Zeta2 Reticuli might be evidence of such a scenario. If so, we are able to constrain the mass and orbit of a potential perturber, either a giant planet or a binary companion. Methods. Analytical techniques were used to predict the effects of a perturber on a debris disk. Numerical N-body simulations were used to verify these results and further investigate the observable structures that may be produced by eccentric perturbers. The long-term evolution of the disk geometry was examined, with particular application to the Zeta2 Reticuli system. In addition, synthetic images of the disk were produced for direct comparison with Herschel observations. Results. We show that an eccentric companion can produce both the observed offsets and eccentric disks. These effects are not immediate, and we characterise the timescale required for the disk to develop to an eccentric state (and any spirals to vanish). For Zeta2 Reticuli, we derive limits on the mass and orbit of the companion required to produce the observations. Synthetic images show that the pattern observed around Zeta2 Reticuli can be produced by an eccentric disk seen close to edge-on, and allow us to bring additional constraints on the disk parameters of our model (disk flux and extent). Conclusions. We conclude that eccentric planets or stellar companions can induce long-lived eccentric structures in debris disks. Observations of such eccentric structures thus provide potential evidence of the presence of such a companion in a planetary system. We considered the specific example of Zeta2 Reticuli, whose observed eccentric disk can be explained by a distant companion (at tens of AU) on an eccentric orbit (ep greater than approx. 0.3).

planetary systems↗
NASA NTRS2003

Data Access Tools And Services At The Goddard Distributed Active Archive Center (GDAAC)

As one of the largest providers of Earth Science data from the Earth Observing System, GDAAC provides the latest data from the Moderate Resolution Imaging Spectroradiometer (MODIS), Atmospheric Infrared Sounder (AIRS), Solar Radiation and Climate Experiment (SORCE) data products via GDAAC's data pool (50TB of disk cache). In order to make this huge volume of data more accessible to the public and science communities, the GDAAC offers multiple data access tools and services: Open Source Project for Network Data Access Protocol (OPeNDAP), Grid Analysis and Display System (GrADS/DODS) (GDS), Live Access Server (LAS), OpenGlS Web Map Server (WMS) and Near Archive Data Mining (NADM). The objective is to assist users in retrieving electronically a smaller, usable portion of data for further analysis. The OPeNDAP server, formerly known as the Distributed Oceanographic Data System (DODS), allows the user to retrieve data without worrying about the data format. OPeNDAP is capable of server-side subsetting of HDF, HDF-EOS, netCDF, JGOFS, ASCII, DSP, FITS and binary data formats. The GrADS/DODS server is capable of serving the same data formats as OPeNDAP. GDS has an additional feature of server-side analysis. Users can analyze the data on the server there by decreasing the computational load on their client's system. The LAS is a flexible server that allows user to graphically visualize data on the fly, to request different file formats and to compare variables from distributed locations. Users of LAS have options to use other available graphics viewers such as IDL, Matlab or GrADS. WMS is based on the OPeNDAP for serving geospatial information. WMS supports OpenGlS protocol to provide data in GIs-friendly formats for analysis and visualization. NADM is another access to the GDAAC's data pool. NADM gives users the capability to use a browser to upload their C, FORTRAN or IDL algorithms, test the algorithms, and mine data in the data pool. With NADM, the GDAAC provides an environment physically close to the data source. NADM will benefit users with mining or offer data reduction algorithms by reducing large volumes of data before transmission over the network to the user.

Pham, Long↗
DOE OSTI2024

Iron Bonding with Light Elements: Implications for Planetary Cores Beyond the Binary System

Light element alloying in iron is required to explain density deficit and seismic wave velocities in Earth’s core. However, the light element composition of the Earth’s core seems hard to constrain as nearly all light element alloying would reduce the density and sound velocity (elastic moduli). The alloying light elements include oxidizing elements like oxygen and sulfur and reducing elements like hydrogen and carbon, yet their chemical effects in the alloy system are less discussed. Moreover, Fe-X-ray Absorption Near Edge Structure (Fe-XANES) fingerprints have been studied for silicate materials with ferrous and ferric ions, while not many X-ray absorption spectroscopy (XAS) studies have focused on iron alloys, especially at high pressures. To investigate the bonding nature of iron alloys in planetary interiors, we presented X-ray absorption spectroscopy of iron–nitrogen and iron–carbon alloys at high pressures up to 50 GPa. Together with existing literature on iron–carbon, –hydrogen alloys, we analyzed their edge positions and found no significant difference in the degree of oxidation among these alloys. Pressure effects on edge positions were also found negligible. Our theoretical simulation of the valence state of iron, alloyed with S, C, O, N, and P also showed nearly unchanged behavior under pressures up to 300 GPa. This finding indicates that the high pressure bonding of iron alloyed with light elements closely resembles bonding at the ambient conditions. We suggest that the chemical properties of light elements constrain which ones can coexist within iron alloys.

Advanced Photon Source↗
NASA NTRS2021

VLTI-MATISSE Chromatic Aperture-Synthesis Imaging of η Carinae’s Stellar Wind Across the Brα Line: Periastron Passage Observations in February 2020

Context: Eta Carinae is a highly eccentric, massive binary system (semimajor axis∼15.5 au) with powerful stellar winds and a phase-dependent wind-wind collision (WWC) zone. The primary star, ηCar A, is a luminous blue variable (LBV); the secondary, η Car B, is a Wolf-Rayet or O star with a faster but less dense wind. Aperture-synthesis imaging allows us to study the mass loss from the enigmatic LBV η Car. Understanding LBVs is a crucial step toward improving our knowledge about massive stars and their evolution. Aims: Our aim is to study the intensity distribution and kinematics of η Car’s WWC zone. Methods: Using the VLTI-MATISSE mid-infrared interferometry instrument, we perform Brα imaging of η Car’s distorted wind. Results: We present the first VLTI-MATISSE aperture-synthesis images of η Car A’s stellar wind in several spectral channels distributed across the Brα 4.052 μm line (spectral resolving power R∼960). Our observations were performed close to periastron passage in February 2020 (orbital phase∼14.0022). The reconstructed iso-velocity images show the dependence of the primary stellar wind on wavelength or line-of-sight (LOS) velocity with a spatial resolution of 6 mas (∼14 au). The radius of the faintest outer wind regions is∼26 mas (∼60 au). At several negative LOS velocities, the primary stellar wind is less extended to the northwest than in other directions. This asymmetry is most likely caused by the WWC. Therefore, we see both the velocity field of the undisturbed primary wind and the WWC cavity. In continuum spectral channels, the primary star wind is more compact than in line channels. A fit of the observed continuum visibilities with the visibilities of a stellar wind CMFGEN model (CMFGEN is an atmosphere code developed to model the spectra of a variety of objects) provides a full width at half maximum fit diameter of the primary stellar wind of 2.84±0.06 mas (6.54±0.14 au). We compare the derived intensity distributions with the CMFGEN stellar wind model and hydrodynamic WWC models.

G Weigelt↗
DOE OSTI2024

The XRISM/Resolve View of the Fe K Region of Cyg X-3

The X-ray binary system Cygnus X-3 (4U 2030+40, V1521 Cyg) is luminous but enigmatic owing to the high intervening absorption. High-resolution X-ray spectroscopy uniquely probes the dynamics of the photoionized gas in the system. In this Letter, we report on an observation of Cyg X-3 with the XRISM/Resolve spectrometer, which provides unprecedented spectral resolution and sensitivity in the 2–10 keV band. We detect multiple kinematic and ionization components in absorption and emission whose superposition leads to complex line profiles, including strong P Cygni profiles on resonance lines. The prominent Fe xxv Heα and Fe xxvi Lyα emission complexes are clearly resolved into their characteristic fine-structure transitions. Self-consistent photoionization modeling allows us to disentangle the absorption and emission components and measure the Doppler velocity of these components as a function of binary orbital phase. We find a significantly higher velocity amplitude for the emission lines than for the absorption lines. The absorption lines generally appear blueshifted by ∼−500–600 km s −1 . We show that the wind decomposes naturally into a relatively smooth and large-scale component, perhaps associated with the background wind itself, plus a turbulent, denser structure located close to the compact object in its orbit.

Audard, Marc (ORCID:000000034721034X)↗
NASA NTRS2011

Constraining the Properties of the Eta Carinae System via 3-D SPH Models of Space-Based Observations: The Absolute Orientation of the Binary Orbit

The extremely massive (> 90 Stellar Mass) and luminous (= 5 x 10(exp 6) Stellar Luminosity) star Eta Carinae, with its spectacular bipolar "Homunculus" nebula, comprises one of the most remarkable and intensely observed stellar systems in the Galaxy. However, many of its underlying physical parameters remain unknown. Multiwavelength variations observed to occur every 5.54 years are interpreted as being due to the collision of a massive wind from the primary star with the fast, less dense wind of a hot companion star in a highly elliptical (e approx. 0.9) orbit. Using three-dimensional (3-D) Smoothed Particle Hydrodynamics (SPH) simulations of the binary wind-wind collision, together with radiative transfer codes, we compute synthetic spectral images of [Fe III] emission line structures and compare them to existing Hubble Space Telescope/Space Telescope Imaging Spectrograph (HST/STIS) observations. We are thus able, for the first time, to tightly constrain the absolute orientation of the binary orbit on the sky. An orbit with an inclination of approx. 40deg, an argument of periapsis omega approx. 255deg, and a projected orbital axis with a position angle of approx. 312deg east of north provides the best fit to the observations, implying that the orbital axis is closely aligned in 3-D space with the Homunculus symmetry axis, and that the companion star orbits clockwise on the sky relative to the primary.

Madura, Thomas I.↗
NASA NTRS2023

X-Ray Polarimetry of X-Ray Pulsar X Persei: Another Orthogonal Rotator?

X Persei is a persistent low-luminosity X-ray pulsar of period of ≈ 835 s in a Be binary system. The field strength at the neutron star surface is not known precisely, but indirect signs indicate a magnetic field above 10 13 G, which makes the object one of the most magnetized known X-ray pulsars. Here we present the results of observations X Persei performed with the Imaging X-ray Polarimetry Explorer (IXPE). The X-ray polarization signal was found to be strongly dependent on the spin phase of the pulsar. The energy-averaged polarization degree in 3–8 keV band varied from several to ∼20 per cent over the pulse with a phase dependence resembling the pulse profile. The polarization angle shows significant variation and makes two complete revolutions during the pulse period, resulting in nearly nil pulse-phase averaged polarization. Applying the rotating vector model to the IXPE data we obtain the estimates for the rotation axis inclination and its position angle on the sky, as well as for the magnetic obliquity. The derived inclination is close to the orbital inclination, reported earlier for X Persei. The polarimetric data imply a large angle between the rotation and magnetic dipole axes, which is similar to the result reported recently for the X-ray pulsar GRO J1008−57. After eliminating the effect of polarization angle rotation over the pulsar phase using the best-fitting rotating vector model, the strong dependence of the polarization degree with energy was discovered, with its value increasing from 0 at ∼2 keV to 30per cent at 8 keV.

X-Persei↗
NASA NTRS1994

Close encounters of the third-body kind

We simulated encounters involving binaries of two eccentricities: e = 0 (i.e., circular binaries) and e = 0.5. In both cases the binary contained a point mass of 1.4 solar masses (i.e., a neutron star) and a 0.8 solar masses main-sequence star modeled as a polytrope. The semimajor axes of both binaries were set to 60 solar radii (0.28 AU). We considered intruders of three masses: 1.4 solar masses (a neutron star), 0.8 solar masses (a main-sequence star or a higher mass white dwarf), and 0.64 solar masses (a more typical mass white dwarf). Our strategy was to perform a large number (40,000) of encounters using a three-body code, then to rerun a small number of cases with a three-dimensional smoothed particle hydrodynamics (SPH) code to determine the importance of hydrodynamical effects. Using the results of the three-body runs, we computed the exchange across sections, sigma(sub ex). From the results of the SPH runs, we computed the cross sections for clean exchange, denoted by sigma(sub cx); the formation of a triple system, denoted by sigma(sub trp); and the formation of a merged binary with an object formed from the merger of two of the stars left in orbit around the third star, denoted by sigma(sub mb). For encounters between either binary and a 1.4 solar masses neutron star, sigma(sub cx) approx. 0.7 sigma(sub ex) and sigma(sub mb) + sigma(sub trp) approx. 0.3 sigma(sub ex). For encounters between either binary and the 0.8 solar masses main-sequence star, sigma(sub cx) approx. 0.50 sigma(sub ex) and sigma(sub mb) + sigma(sub trp) approx. 1.0 sigma(sub ex). If the main sequence star is replaced by a main-sequence star of the same mass, we have sigma(sub cx) approx. 0.5 sigma(sub ex) and sigma(sub mb) + sigma(sub trp) approx. 1.6 sigma(sub ex). Although the exchange cross section is a sensitive function of intruder mass, we see that the cross section to produce merged binaries is roughly independent of intruder mass. The merged binaries produced have semi-major axes much larger than either those of the original binaries or those of binaries produced in clean exchanges. Coupled with their lower kick velocities, received from the encounters, their larger size will enhance their cross section, shortening the waiting time to a subsequent encounter with another single star.

Davies, M. B.↗
DOE OSTI2025

Cooling Design and Thermal Analysis for Thermal Shields of a Cryocooler-Cooled Superconducting ECR Ion Source MARS-D Magnet

Here, a demonstrative NbTi based Mixed Axial and Radial field System (MARS-D) is being developed for a next-Generation Electron Cyclotron Resonance Ion Source (ECRIS) at Lawrence Berkeley National Laboratory (LBL), which employs a novel closed-loop coil design scheme that more efficiently utilizes conductor fields and extend the application of NbTi for high frequency (up to 45 GHz) ECR operation. The NbTi MARS-D magnet consists of a single hexagonally shaped closed-loop coil and a set of auxiliary solenoids. A cryostat for cooling the MARS-D magnet is under design at LBL. The MARS-D magnet working around 4.2 K will be bath-cooled in liquid helium using multiple two-stage cryocoolers. An intermediate temperature thermal radiation shield is adopted to reduce the heat leakage imposed on 4.2 K coil cold mass from room temperature. The thermal shield is conduction-cooled by the first-stage cold heads of four two-stage cryocoolers and the cold head of a single-stage cryocooler shared with nine binary leads. The temperature in the area of the shield that warm ends of HTS leads are mounted on is expected no higher than 60 K, which is limited by maximum allowable working temperature of HTS leads. The paper presents thermal analysis on the thermal radiation shield including heat loads and effects of eddy current induced during quench on its material selection.

ECRIS↗
NASA NTRS2010

Constraining the Properties of the Eta Carinae System via 3-D SPH Models of Space-Based Observations: The Absolute Orientation of the Binary Orbit

The extremely massive (> 90 Solar Mass) and luminous (= 5 x 10(exp 6) Solar Luminosity) star Eta Carinae, with its spectacular bipolar "Homunculus" nebula, comprises one of the most remarkable and intensely observed stellar systems in the galaxy. However, many of its underlying physical parameters remain a mystery. Multiwavelength variations observed to occur every 5.54 years are interpreted as being due to the collision of a massive wind from the primary star with the fast, less dense wind of a hot companion star in a highly elliptical (e approx. 0.9) orbit. Using three-dimensional (3-D) Smoothed Particle Hydrodynamics (SPH) simulations of the binary wind-wind collision in Eta Car, together with radiative transfer codes, we compute synthetic spectral images of [Fe III] emission line structures and compare them to existing Hubble Space Telescope/Space Telescope Imaging Spectrograph (HST/STIS) observations. We are thus able, for the first time, to constrain the absolute orientation of the binary orbit on the sky. An orbit with an inclination of i approx. 40deg, an argument of periapsis omega approx. 255deg, and a projected orbital axis with a position angle of approx. 312deg east of north provides the best fit to the observations, implying that the orbital axis is closely aligned in 3-1) space with the Homunculus symmetry axis, and that the companion star orbits clockwise on the sky relative to the primary.

Madura, Thomas I.↗
DOE OSTI2022

Formation of Magnetically Truncated Accretion Disks in 3D Radiation-transport Two-temperature GRMHD Simulations

Multiwavelength observations suggest that the accretion disk in the hard and intermediate states of X-ray binaries (XRBs) and active galactic nucleus transitions from a cold, thin disk at large distances into a hot, thick flow close to the black hole (BH). However, the formation, structure, and dynamics of such truncated disks are poorly constrained due to the complexity of the thermodynamic, magnetic, and radiative processes involved. We present the first radiation-transport two-temperature general relativistic magnetohydrodynamic (GRMHD) simulations of truncated disks radiating at ~35% of the Eddington luminosity with and without large-scale poloidal magnetic flux. We demonstrate that when a geometrically thin accretion disk is threaded by large-scale net poloidal magnetic flux, it self-consistently transitions at small radii into a two-phase medium of cold gas clumps floating through a hot, magnetically dominated corona. This transition occurs at a well-defined truncation radius determined by the distance out to which the disk is saturated with magnetic flux. The average ion and electron temperatures in the semiopaque corona reach, respectively, $T_i$ ≳ 10 10 K and $T_e$ ≳ 5 × 10 8 K. The system produces radiation, powerful collimated jets, and broader winds at the total energy efficiency exceeding 90%, the highest ever energy extraction efficiency from a spinning BH by a radiatively efficient flow in a GRMHD simulation. This is consistent with jetted ejections observed during XRB outbursts. The two-phase medium may naturally lead to broadened iron line emission observed in the hard state.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2020

Organic Components of Small Bodies in the Outer Solar System: Some Results of the New Horizons Mission

The close encounters of the Pluto–Charon system and the Kuiper Belt object Arrokoth (formerly 2014 MU 69 ) by NASA’s New Horizons spacecraft in 2015 and 2019, respectively, have given new perspectives on the most distant planetary bodies yet explored. These bodies are key indicators of the composition, chemistry, and dynamics of the outer regions of the Solar System’s nascent environment. Pluto and Charon reveal characteristics of the largest Kuiper Belt objects formed in the dynamically evolving solar nebula inward of ~30 AU, while the much smaller Arrokoth is a largely undisturbed relic of accretion at ~45 AU. The surfaces of Pluto and Charon are covered with volatile and refractory ices and organic components, and have been shaped by geological activity. On Pluto, N 2 , CO and CH 4 are exchanged between the atmosphere and surface as gaseous and condensed phases on diurnal, seasonal and longer timescales, while Charon’s surface is primarily inert H 2 O ice with an ammoniated component and a polar region colored with a macromolecular organic deposit. Arrokoth is revealed as a fused binary body in a relatively benign space environment where it originated and has remained for the age of the Solar System. Its surface is a mix of CH 3 OH ice, a red-orange pigment of presumed complex organic material, and possibly other undetected components.

Solar System↗
NASA NTRS1981

A UBV photometric study of the 5.2 hour X-ray binary 4U 2129+47

The paper presents results derived from UBV photometric observations of the 5.2 X-ray binary 4U 2129+47 which were made on 11 nights between 1978 October and 1979 August. The light curves observed during this period are relatively stable in shape and amplitude (Delta B = 1.5 mag) and are a surprisingly close match to the time-averaged light curves observed for HZ Her. There is a significant asymmetry in their shape which is independent of color and varies in amplitude by a factor of approximately 2. The UBV colors at minimum light suggest a considerably earlier spectral type (G or earlier) than is inferred by assuming that the star fills its Roche lobe (late K or early M). Optical pulsations were studied, and a 3 sigma limit of 0.5% was set on the fraction of the flux which is pulsed for periods between 60 ms and 300 s. Assuming that the optical companion is a normal main-sequence star filling its Roche lobe, its mass is approximately 0.65 solar mass. Assuming also that the compact object has a mass of 1.3 solar masses and that the orbital inclination of the system is approximately 90 deg, it is found that the orbital separation is approximately 1.9 solar radii and K-opt is approximately 300 km/s.

Mcclintock, J. E.↗
DOE OSTI2019

Detection of low Temperature heat release (LTHR) in the standard Cooperative Fuel Research (CFR) engine in both SI and HCCI combustion modes

To this date, extensive research has been conducted to understand the low-temperature auto-ignition chemistry of gasoline. The detection of low-temperature chemical reactions under Spark Ignition (SI) combustion cannot be detected, as they are hidden by the flame propagation. Alternatively, Homogeneous Charge Compression Ignition (HCCI) combustion has a two-stage combustion involving low and high-temperature heat release (LTHR and HTHR respectively). Both Knocking SI and HCCI combustion involve auto-ignition and are governed by fuel characteristics and the pressure-temperature (P-T) history. Therefore, HCCI combustion might provide an alternative to understand the knocking behavior and LTHR in modern SI engines. A standard Cooperative Fuel Research (CFR) engine was operated at lean HCCI conditions (lambda 3), as well as SI conditions at stoichiometry. For SI combustion, the CFR engine was operated with RON-like conditions, but at late spark timing to induce LTHR prior to flame propagation. Three RON 90 binary fuel blends were investigated, being composed of n-heptane with isooctane, toluene, or ethanol. This work demonstrated that the CFR engine under stoichiometric SI with late spark timing and HCCI combustion mode can help to detect LTHR which is not possible in the standard RON test. The intake pressure and temperature sweeps showed similar effects on LTHR for both combustion modes. The linking of auto-ignition behavior of SI and HCCI was dependent primarily on intake valve closing (IVC) conditions. In conclusion, the high exhaust temperature in SI lead to high IVC temperatures. In order to match the IVC temperatures and to overlap the P-T trajectories, the intake temperature for HCCI was increased.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1983

On neutron star structure and the millisecond pulsar

The recently discovered millisecond pulsar (PSR1937-214) is observed to be rotating close to the limit of dynamical instability for a neutron star. Despite its extremely rapid rotation, measurements of the period derivative put a stringent upper limit on the energy loss from gravitational radiation, thus requiring that the quadrupole moment be quite small. The pulsar must also be rotating below the critical frequency at which its equilibrium configuration would become non-axisymmetric, since the lifetime of this configuration against decay by gravitational radiation is very short. This critical frequency, given by the theory of rotating ellipsoids, imposes a restriction on the rotation rate more severe than the break-up frequency and may be used to set a lower limit, rho 2 x 10 to the 14th power g/cu cm, on the density of the star. If the mass is 0.5 - 1.5 solar mass, several of the stiffer neutron star equations of state may be ruled out, and the radius should be less than 16 km. The condition for axisymmetry also imposes an upper limit on the rotation rate to which neutron stars may be spun up by accretion disks in binary systems, a model recently proposed for the evolution of the millisecond pulsar.

Harding, A. K.↗
DOE OSTI2021

Constraints on the Electromagnetic Counterpart of the Neutron-star–Black-hole Merger GW200115

We report the results of our follow-up campaign for the neutron-star—black-hole (NSBH) merger GW200115 detected during the O3 run of the Advanced LIGO and Advanced Virgo detectors. We obtained wide-field observations with the Deca-Degree Optical Transient Imager covering ~20% of the total probability area down to a limiting magnitude of w = 20.5 AB at ~23 hr after the merger. Our search for counterparts returns a single candidate (AT2020aeo), likely not associated with the merger. In total, only 25 sources of interest were identified by the community and later discarded as unrelated to the GW event. We compare our upper limits with the emission predicted by state-of-the-art kilonova simulations and disfavor high-mass ejecta (>0.1 M⊙), indicating that the spin of the system is not particularly high. By combining our optical limits with gamma-ray constraints from Swift and Fermi, we disfavor the presence of a standard short-duration burst for viewing angles ≲15° from the jet axis. Our conclusions are, however, limited by the large localization region of this GW event, and accurate prompt positions remain crucial to improving the efficiency of follow-up efforts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Composition and Configuration Dependence of Glass-Transition Temperature in Binary Copolymers and Blends of Polyhydroxyalkanoate Biopolymers

Polyhydroxyalkanoates (PHAs), a promising class of biomaterials, have gained considerable attention to replace petroleum-based plastics owing to their excellent biocompatibility and biodegradability. Homopolymers of PHA suffer from poor tunability in thermal and mechanical properties. Going from homopolymers to copolymers, the design space can be substantially enhanced by combining two or more monomers in different compositions (i.e., relative ratios of the different monomers) and configurations (i.e., relative positions of the different monomers in the polymer backbone) leading to a substantially large chemical space where application-specific optimization for the targeted functionality can be performed. However, this composition and configuration dependence of properties in the vast PHA copolymer chemical space remains largely unexplored. In this contribution, further building on our past work with PHA homopolymers, we systematically explore these chemical trends for glass-transition temperature (Tg) in PHA copolymers and blends. Overall, our molecular dynamics simulations, utilizing a previously validated force field for PHAs, suggest that these trends are largely governed not only by the homopolymer Tg values but also configuration-dependent interchain interactions in the copolymer system. In particular, our results indicate that the configuration-dependent variation in the target property at a fixed composition can be significant in the presence of hydrogen-bond-forming monomers. These qualitative observations are further rationalized by quantitatively analyzing various closely related atomic level descriptors of copolymers and blends such as monomer mobility, number of hydrogen bonds, and pair correlation functions. The findings presented in this work help to develop a deeper atomistic-level understanding of thermomechanical behavior of PHA-based copolymers and can potentially guide the rational design of biopolymers as environmental-friendly functional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

SPH Simulations of the Induced Gravitational Collapse Scenario of Long Gamma-Ray Bursts Associated with Supernovae

We present the first three-dimensional smoothed particle hydrodynamics simulations of the induced gravitational collapse scenario of long-duration gamma-ray bursts (GRBs) associated with supernovae (SNe). We simulate the SN explosion of a carbon–oxygen core (CO core ) forming a binary system with a neutron star (NS) companion. We follow the evolution of the SN ejecta, including their morphological structure, subject to the gravitational field of both the new NS (νNS) formed at the center of the SN and the one of the NS companion. We compute the accretion rate of the SN ejecta onto the NS companion, as well as onto the νNS from SN matter fallback. We determine the fate of the binary system for a wide parameter space including different CO core and NS companion masses, orbital periods, and SN explosion geometry and energies. We identify, for selected NS nuclear equations of state, the binary parameters leading the NS companion, by hypercritical accretion, either to the mass-shedding limit or to the secular axisymmetric instability for gravitational collapse to a black hole (BH), or to a more massive, fast-rotating, stable NS. We also assess whether the binary remains gravitationally bound after the SN explosion, hence exploring the space of binary and SN explosion parameters leading to νNS–NS and νNS–BH binaries. As a result, the consequences of our results for the modeling of long GRBs, i.e., X-ray flashes and binary-driven hypernovae, are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗