Ecosystem discovery: Measuring clean energy innovation ecosystems through knowledge discovery and mapping techniques
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Lin, Jessica (ORCID:0000000280407251)↗
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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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Genetic-Algorithm Discovery of a Direct-Gap and Optically Allowed Superstructure from Indirect-Gap Si and Ge Semiconductors
Combining two indirect-gap materials - with different electronic and optical gaps - to create a direct gap material represents an ongoing theoretical challenge with potentially rewarding practical implications, such as optoelectronics integration on a single wafer. We provide an unexpected solution to this classic problem, by spatially melding two indirect-gap materials (Si and Ge) into one strongly dipole-allowed direct-gap material. We leverage a combination of genetic algorithms with a pseudopotential Hamiltonian to search through the astronomic number of variants of Si{sub n}/Ge{sub m}/.../Si{sub p}/Ge{sub q} superstructures grown on (001) Si{sub 1-x}Ge{sub x}. The search reveals a robust configurational motif - SiGe{sub 2}Si{sub 2}Ge{sub 2}SiGe{sub n} on (001) Si{sub x}Ge{sub 1-x} substrate (x {le} 0.4) presenting a direct and dipole-allowed gap resulting from an enhanced {Gamma}-X coupling at the band edges.
36 MATERIALS SCIENCE↗
Spectroscopic and Computational Investigations of Ligand Binding to IspH: Discovery of Non-diphosphate Inhibitors
Abstract not provided
O'Dowd, Bing↗
Discovery of GeV emission from the Circinus galaxy with the Fermi large area telescope
We report the discovery of γ-ray emission from the Circinus galaxy using the Large Area Telescope (LAT) on board the Fermi Gamma-ray Space Telescope. Circinus is a nearby (∼4 Mpc) starburst with a heavily obscured Seyfert-type active nucleus, bipolar radio lobes perpendicular to the spiral disk, and kpc-scale jet-like structures. Our analysis of 0.1-100 GeV events collected during 4 yr of LAT observations reveals a significant (≅ 7.3σ) excess above the background. We find no indications of variability or spatial extension beyond the LAT point-spread function. A power-law model used to describe the 0.1-100 GeV γ-ray spectrum yields a flux of (18.8 ± 5.8) × 10{sup –9} photon cm{sup –2} s{sup –1} and photon index 2.19 ± 0.12, corresponding to an isotropic γ-ray luminosity of 3 × 10{sup 40} erg s{sup –1}. This observed γ-ray luminosity exceeds the luminosity expected from cosmic-ray interactions in the interstellar medium and inverse Compton radiation from the radio lobes. Thus, the origin of the GeV excess requires further investigation.
79 ASTRONOMY AND ASTROPHYSICS↗
Discovery of a metastable Al{sub 20}Sm{sub 4} phase
We present an efficient genetic algorithm, integrated with experimental diffraction data, to solve a nanoscale metastable Al{sub 20}Sm{sub 4} phase that evolves during crystallization of an amorphous magnetron sputtered Al{sub 90}Sm{sub 10} alloy. The excellent match between calculated and experimental X-ray diffraction patterns confirms an accurate description of this metastable phase. Molecular dynamic simulations of crystal growth from the liquid phase predict the formation of disordered defects in the devitrified crystal.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily
Abstract not provided
Lukk, Tiit↗
iPTF Discovery of the Rapid “Turn-on” of a Luminous Quasar
We present a radio-quiet quasar at z = 0.237 discovered “turning on” by the intermediate Palomar Transient Factory (iPTF). The transient, iPTF 16bco, was detected by iPTF in the nucleus of a galaxy with an archival Sloan Digital Sky Survey spectrum with weak narrow-line emission characteristic of a low-ionization nuclear emission-line region (LINER). Our follow-up spectra show the dramatic appearance of broad Balmer lines and a power-law continuum characteristic of a luminous (L{sub bol}≈10{sup 45} erg s{sup −1}) type 1 quasar 12 yr later. Our photometric monitoring with PTF from 2009–2012 and serendipitous X-ray observations from the XMM-Newton Slew Survey in 2011 and 2015 constrain the change of state to have occurred less than 500 days before the iPTF detection. An enhanced broad Hα/[O iii] λ5007 line ratio in the type 1 state relative to other changing-look quasars also is suggestive of the most rapid change of state yet observed in a quasar. We argue that the >10 increase in Eddington ratio inferred from the brightening in UV and X-ray continuum flux is more likely due to an intrinsic change in the accretion rate of a preexisting accretion disk than an external mechanism such as variable obscuration, microlensing, or the tidal disruption of a star. However, further monitoring will be helpful in better constraining the mechanism driving this change of state. The rapid “turn-on” of the quasar is much shorter than the viscous infall timescale of an accretion disk and requires a disk instability that can develop around a ∼10{sup 8} M{sub ⊙} black hole on timescales less than 1 yr.
79 ASTRONOMY AND ASTROPHYSICS↗
First Discoveries of z > 6 Quasars with the DECam Legacy Survey and UKIRT Hemisphere Survey
In this paper, we present the first discoveries from a survey of z ≳ 6 quasars using imaging data from the DECam Legacy Survey (DECaLS) in the optical, the UKIRT Deep Infrared Sky Survey (UKIDSS) and a preliminary version of the UKIRT Hemisphere Survey (UHS) in the near-IR, and ALLWISE in the mid-IR. DECaLS will image 9000 deg 2 of sky down to z AB ~ 23.0, and UKIDSS and UHS will map the northern sky at 0 < decl. < +60°, reaching J VEGA ~ 19.6 (5-σ). The combination of these data sets allows us to discover quasars at redshift z ≳ 7 and to conduct a complete census of the faint quasar population at z ≳ 6. In this paper, we report on the selection method of our search, and on the initial discoveries of two new, faint z ≳ 6 quasars and one new z = 6.63 quasar in our pilot spectroscopic observations. The two new z ~ 6 quasars are at z = 6.07 and z = 6.17 with absolute magnitudes at rest-frame wavelength 1450 Å being M 1450 = -25.83 and M 1450 = -25.76, respectively. These discoveries suggest that we can find quasars close to or fainter than the break magnitude of the Quasar Luminosity Function (QLF) at z ≳ 6. The new z = 6.63 quasar has an absolute magnitude of M 1450 = -25.95. This demonstrates the potential of using the combined DECaLS and UKIDSS/UHS data sets to find z ≳ 7 quasars. Finally, extrapolating from previous QLF measurements, we predict that these combined data sets will yield ~200 z ~ 6 quasars to z AB < 21.5, ~1000 z ~ 6 quasars to z AB < 23, and ~30 quasars at z > 6.5 to J VEGA < 19.5.
79 ASTRONOMY AND ASTROPHYSICS↗
Commentary: The Hash House Harriers and the winding path to materials discovery
Materials science research can be both very demanding and extremely rewarding. In this Commentary, in my own research of new electronic and magnetic materials, I give numerous exemplars of the path followed to materials discovery. I also highlight the parallels between my research experiences with the pastime of running. I hope that my thoughts will help guide junior researchers along the often tortuous and exciting path to new materials and that I can teach them to be open minded and persistent about following new lines of discovery. “No-pain, no-gain” applies to many things in life, running and scientific research being just two examples, but I hope in the case of scientific research that I can convince you the gain normally outweighs the pain.
36 MATERIALS SCIENCE↗
DISCOVERY OF TWO MILLISECOND PULSARS IN FERMI SOURCES WITH THE NANCAY RADIO TELESCOPE
We report the discovery of two millisecond pulsars in a search for radio pulsations at the positions of Fermi-Large Area Telescope sources with no previously known counterparts, using the Nancay Radio Telescope. The two millisecond pulsars, PSRs J2017+0603 and J2302+4442, have rotational periods of 2.896 and 5.192 ms and are both in binary systems with low-eccentricity orbits and orbital periods of 2.2 and 125.9 days, respectively, suggesting long recycling processes. Gamma-ray pulsations were subsequently detected for both objects, indicating that they power the associated Fermi sources in which they were found. The gamma-ray light curves and spectral properties are similar to those of previously detected gamma-ray millisecond pulsars. Detailed modeling of the observed radio and gamma-ray light curves shows that the gamma-ray emission seems to originate at high altitudes in their magnetospheres. Additionally, X-ray observations revealed the presence of an X-ray source at the position of PSR J2302+4442, consistent with thermal emission from a neutron star. These discoveries along with the numerous detections of radio-loud millisecond pulsars in gamma rays suggest that many Fermi sources with no known counterpart could be unknown millisecond pulsars.
79 ASTRONOMY AND ASTROPHYSICS↗
EINSTEIN@HOME DISCOVERY OF FOUR YOUNG GAMMA-RAY PULSARS IN FERMI LAT DATA
We report the discovery of four gamma-ray pulsars, detected in computing-intensive blind searches of data from the Fermi Large Area Telescope (LAT). The pulsars were found using a novel search approach, combining volunteer distributed computing via Einstein@Home and methods originally developed in gravitational-wave astronomy. The pulsars PSRs J0554+3107, J1422–6138, J1522–5735, and J1932+1916 are young and energetic, with characteristic ages between 35 and 56 kyr and spin-down powers in the range 6 × 10{sup 34}—10{sup 36} erg s{sup –1}. They are located in the Galactic plane and have rotation rates of less than 10 Hz, among which the 2.1 Hz spin frequency of PSR J0554+3107 is the slowest of any known gamma-ray pulsar. For two of the new pulsars, we find supernova remnants coincident on the sky and discuss the plausibility of such associations. Deep radio follow-up observations found no pulsations, suggesting that all four pulsars are radio-quiet as viewed from Earth. These discoveries, the first gamma-ray pulsars found by volunteer computing, motivate continued blind pulsar searches of the many other unidentified LAT gamma-ray sources.
79 ASTRONOMY AND ASTROPHYSICS↗
DES J0454-4448: discovery of the first luminous z ≥ 6 quasar from the Dark Energy Survey
We present the first results of a survey for high-redshift, z ≥ 6, quasars using izY multicolour photometric observations from the Dark Energy Survey (DES). Here we report the discovery and spectroscopic confirmation of the z AB , Y AB = 20.2, 20.2 (M 1450 = -26.5) quasar DES J0454-4448 with a redshift of z = 6.09±0.02 based on the onset of the Ly α forest and an H I near zone size of 4.1 +1.1 -1.2 proper Mpc. The quasar was selected as an i-band drop out with i-z = 2.46 and z AB < 21.5 from an area of ~300 deg 2 . It is the brightest of our 43 candidates and was identified for spectroscopic follow-up solely based on the DES i-z and z-Y colours. The quasar is detected by WISE and has W1 AB = 19.68. The discovery of one spectroscopically confirmed quasar with 5.7 < z < 6.5 and zAB ≤ 20.2 is consistent with recent determinations of the luminosity function at z ~ 6. DES when completed will have imaged ~5000 deg 2 to Y AB = 23.0 (5σ point source) and we expect to discover 50–100 new quasars with z > 6 including 3–10 with z > 7 dramatically increasing the numbers of quasars currently known that are suitable for detailed studies.
79 ASTRONOMY AND ASTROPHYSICS↗
Discovery and annotation of small proteins using genomics, proteomics and computational approaches
Small proteins (10 200 amino acids aa in length) encoded by short open reading frames (sORF) play important regulatory roles in various biological processes, including tumor progression, stress response, flowering, and hormone signaling. However, ab initio discovery of small proteins has been relatively overlooked. Recent advances in deep transcriptome sequencing make it possible to efficiently identify sORFs at the genome level. In this study, we obtained 2.6 million expressed sequence tag (EST) reads from Populus deltoides leaf transcriptome and reconstructed full-length transcripts from the EST sequences. We identified an initial set of 12,852 sORFs encoding proteins of 10 200 aa in length. Three computational approaches were then used to enrich for bona fide protein-coding sORFs from the initial sORF set: (1) codingpotential prediction, (2) evolutionary conservation between P. deltoides and other plant species, and (3) gene family clustering within P. deltoides. As a result, a high-confidence sORF candidate set containing 1469 genes was obtained. Analysis of the protein domains, non-protein-coding RNA motifs, sequence length distribution, and protein mass spectrometry data supported this high-confidence sORF set. In the high-confidence sORF candidate set, known protein domains were identified in 1282 genes (higher-confidence sORF candidate set), out of which 611 genes, designated as highest-confidence candidate sORF set, were supported by proteomics data. Of the 611 highest-confidence candidate sORF genes, 56 were new to the current Populus genome annotation. This study not only demonstrates that there are potential sORF candidates to be annotated in sequenced genomes, but also presents an efficient strategy for discovery of sORFs in species with no genome annotation yet available.
99 GENERAL AND MISCELLANEOUS↗
A Grassroots Network and Community Roadmap for Interconnected Autonomous Science Laboratories for Accelerated Discovery
Scientific discovery is being revolutionized by AI and autonomous systems, yet current autonomous laboratories remain isolated islands unable to collaborate across institutions. We present the Autonomous Interconnected Science Lab Ecosystem (AISLE), a grassroots network transforming fragmented capabilities into a unified system that shorten the path from ideation to innovation to impact and accelerates discovery from decades to months. AISLE addresses five critical dimensions: (1) cross-institutional equipment orchestration, (2) intelligent data management with FAIR compliance, (3) AI-agent driven orchestration grounded in scientific principles, (4) interoperable agent communication interfaces, and (5) AI/ML-integrated scientific education. By connecting autonomous agents across institutional boundaries, autonomous science can unlock research spaces inaccessible to traditional approaches while democratizing cutting-edge technologies. This paradigm shift toward collaborative autonomous science promises breakthroughs in sustainable energy, materials development, and public health.
Ferreira da Silva, Rafael [Oak Ridge National Labo↗
Color Me Intrigued: the Discovery of iPTF 16fnm, a Supernova 2002cx-like Object
Modern wide-field, optical time-domain surveys must solve a basic optimization problem: maximize the number of transient discoveries or minimize the follow-up needed for the new discoveries. Here, we describe the Color Me Intrigued experiment, the first from the intermediate Palomar Transient Factory (iPTF) to search for transients simultaneously in the $g_\mathrm{PTF}$- and $R_\mathrm{PTF}$-bands. During the course of this experiment we discovered iPTF$\,$16fnm, a new member of the 02cx-like subclass of type Ia supernovae (SNe). iPTF$\,$16fnm peaked at $M_{g_\mathrm{PTF}} = -15.09 \pm 0.17 \; \mathrm{mag}$, making it the second least-luminous known type Ia SN. iPTF 16fnm exhibits all the hallmarks of the 02cx-like class: (i) low luminosity at peak, (ii) low ejecta velocities, and (iii) a non-nebular spectra several months after peak. Spectroscopically, iPTF$\,$16fnm exhibits a striking resemblence to 2 other low-luminosity 02cx-like SNe: SNe 2007qd and 2010ae. iPTF$\,$16fnm and SN 2005hk decline at nearly the same rate, despite a 3 mag difference in brightness at peak. When considering the full subclass of 02cx-like SNe, we do not find evidence for a tight correlation between peak luminosity and decline rate in either the $g'$ or $r'$ band. We further examine the $g' - r'$ evolution of 02cx-like SNe and find that their unique color evolution can be used to separate them from 91bg-like and normal type Ia SNe. This selection function will be especially important in the spectroscopically incomplete Zwicky Transient Facility/Large Synoptic Survey Telescope era. We measure the relative rate of 02cx-like SNe to normal SNe Ia and find $r_{N_{02cx}/N_{Ia}} = 25^{+75}_{-18.5}\%$. Finally, we close by recommending that LSST periodically evaluate, and possibly update, its observing cadence to maximize transient science.
79 ASTRONOMY AND ASTROPHYSICS↗
Discovery of Cu 3 Pb
Here, materials discovery enables both realization and understanding of new, exotic, physical phenomena. An emerging approach to the discovery of novel phases is high–pressure synthesis within diamond anvil cells, thereby enabling in–situ monitoring of phase formation. Now, the discovery via high–pressure synthesis of the first intermetallic compound in the Cu–Pb system, Cu 3 Pb is reported. Cu 3 Pb is notably the first structurally characterized mid– to late–first–row transition–metal plumbide. The structure of Cu 3 Pb can be envisioned as a direct mixture of the two elemental lattices. From this new framework, we gain insight into the structure as a function of pressure and hypothesize that the high–pressure polymorph of lead is a possible prerequisite for the formation of Cu 3 Pb. Crucially, electronic structure computations reveal band crossings near the Fermi level, suggesting that chemically doped Cu 3 Pb could be a topologically nontrivial material.
36 MATERIALS SCIENCE↗