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At least 145 records · Page 8

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DOE OSTI2017

Possible Mechanism for the Generation of a Fundamental Unit of Charge (long version)

Various methods for calculating particle-emission rates from hot systems are reviewed. Semi-classically derived photon-emission rates often contain the term exp(-ε/T) which needs to be replaced with the corresponding Planckian factor of [exp(-ε/T)-1] -1 to obtain the correct rate. This replacement is associated with the existence of stimulated emission. Simple arguments are used to demonstrate that black holes can also undergo stimulated emission, as previously determined by others. We extend these concepts to fundamental particles, and assume they can be stimulated to emit virtual photons with a cross section of πλ 2 , in the case of an isolated particle when the incident virtual-photon energy is < 2πmc 2 . Stimulated-virtual photons can be exchanged with other particles generating a force. With the inclusion of near-field effects, the model choices presented give a calculated fundamental unit of charge of 1.6022x10 -19 C. If these choices are corroborated by detailed calculations then an understanding of the numerical value of the fine structure constant may emerge. The present study suggests charge might be an emergent property generated by a simple interaction mechanism between point-like particles and the electromagnetic vacuum, similar to the process that generates the Lamb shift.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2001

Noise in state of the art clocks and their impact for fundamental physics

In this paper a review of the use of advanced atomic clocks in testing the fundamental physical laws will be presented. Noise sources of clocks will be discussed, together with an outline their characterization based on current models. The paper will conclude with a discussion of recent attempts to reduce the fundamental, as well as technical noise in atomic clocks.

noise state-of-the-art clocks fundamental physics↗

NASA NTRS2013

Protonated Nitrous Oxide, NNOH(+): Fundamental Vibrational Frequencies and Spectroscopic Constants from Quartic Force Fields

The interstellar presence of protonated nitrous oxide has been suspected for some time. Using established high-accuracy quantum chemical techniques, spectroscopic constants and fundamental vibrational frequencies are provided for the lower energy O-protonated isomer of this cation and its deuterated isotopologue. The vibrationally-averaged B0 and C0 rotational constants are within 6 MHz of their experimental values and the D(subJ) quartic distortion constants agree with experiment to within 3%. The known gas phase O−H stretch of NNOH(+) is 3330.91 cm(exp−1), and the vibrational configuration interaction computed result is 3330.9 cm(exp−1). Other spectroscopic constants are also provided, as are the rest of the fundamental vibrational frequencies for NNOH(+) and its deuterated isotopologue. This high-accuracy data should serve to better inform future observational or experimental studies of the rovibrational bands of protonated nitrous oxide in the ISM and the laboratory.

fundamental vibrational frequencies↗

DOE OSTI2022

Equivalent Fundamental-Mode Source Simulations for Spherical Uranium and Plutonium Systems

It is important in neutron noise measurements and reactor startup to understand how the source distribution in a system compares to the equivalent fundamental-mode (EFM) source. Deviation from the fundamental mode source distribution increases as the system $\kappa$ eff increases. A correction factor, g *, is a measure of this deviation, and is the focus of this work. Two methods were utilized to simulate g *. These methods are compared to each other and (where applicable) previous results. The effects associated with nuclear material inner radius, materials of reflectors, and reflector thickness are also investigated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2017

Intermediate-Scale Experimental Study to Improve Fundamental Understanding of Attenuation Capacity for Leaking CO 2 in Heterogeneous Shallow Aquifers

In order to assess the risks of Geologic Carbon Sequestration (GCS), it is crucial to understand the fundamental physicochemical processes that may occur if and when stored CO 2 leaks upward from a deep storage reservoir into the shallow subsurface. Intermediate-scale experiments allow for improved understanding of the multiphase evolution processes that control CO 2 migration behaviour in the subsurface, because the boundary conditions, initial conditions, and porous media parameters can be better controlled and monitored in the laboratory than in field settings. For this study, a large experimental test bed was designed to mimic a cross-section of a shallow aquifer with layered geologic heterogeneity. As water with aqueous CO 2 was injected into the system to mimic a CO 2 -charged water leakage scenario, the spatiotemporal evolution of the multiphase CO 2 plume was monitored. Similar experiments were performed with two different sand combinations to assess the relative effects of different types of geologic facies transitions on the CO 2 evolution processes. Significant CO 2 attenuation was observed in both scenarios, but by fundamentally different mechanisms. When the porous media layers had very different permeabilities, attenuation was caused by local accumulation (structural trapping) and slow re-dissolution of gas phase CO 2 . When the permeability difference between the layers was relatively small, on the other hand, gas phase continually evolved over widespread areas near the leading edge of the aqueous plume, which also attenuated CO 2 migration. In conclusion, this improved process understanding will aid in the development of models that could be used for effective risk assessment and monitoring programs for GCS projects.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Molecular Engineering of 2D Nanomaterial Field-Effect Transistor Sensors: Fundamentals and Translation across Innovation Spectrum

We report over the last decade, 2D layered nanomaterials have attracted significant attention across the scientific community due to their rich and exotic properties. Various nanoelectronic devices based on these 2D nanomaterials have been explored and demonstrated, including those for environmental applications. Here, the fundamental attributes of 2D layered nanomaterials for field-effect transistor (FET) sensors and tunneling FET (TFET) sensors, which provide versatile detection of water contaminants such as heavy-metal ions, bacteria, nutrients, and organic pollutants, are discussed. The major challenges and opportunities are also outlined for designing and fabricating 2D nanomaterial FET/TFET sensors with superior performance. Translation of these FET/TFET sensors from fundamental research to applied technology is illustrated through a case study on graphene-based real-time FET water sensors. A second case study centers on large-scale sensor networks for water-quality monitoring to enable intelligent drinking water and river-water systems. Overall, 2D nanomaterial FET sensors have significant potential for enabling a human-centered intelligent water system that can likely be applied to other precarious water supplies around the globe.

2D nanomaterials↗

DOE OSTI2020

Novel color center platforms enabling fundamental scientific discovery

Abstract Color centers are versatile systems that generate quantum light, sense magnetic fields and produce spin‐photon entanglement. We review how these properties have pushed the limits of fundamental knowledge in a variety of scientific disciplines, from rejecting local‐realistic theories to sensing superconducting phase transitions. In the light of recent progress in material processing and device fabrication, we identify new opportunities for interdisciplinary fundamental discoveries in physics and geochemistry. image

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

Strong coupling expansion of free energy and BPS Wilson loop in $$ \mathcal{N} $$ = 2 superconformal models with fundamental hypermultiplets

As a continuation of the study (in arXiv:2102.07696 and arXiv:2104.12625 ) of strong-coupling expansion of non-planar corrections in $ \mathcal{N} $ = 2 4d superconformal models we consider two special theories with gauge groups SU( N ) and Sp(2 N ). They contain N -independent numbers of hypermultiplets in rank 2 antisymmetric and fundamental representations and are planar-equivalent to the corresponding $ \mathcal{N} $ = 4 SYM theories. These $ \mathcal{N} $ = 2 theories can be realised on a system of N D3-branes with a finite number of D7-branes and O7-plane; the dual string theories should be particular orientifolds of AdS 5 × S 5 superstring. Starting with the localization matrix model representation for the $ \mathcal{N} $ = 2 partition function on S 4 we find exact differential relations between the 1 /N terms in the corresponding free energy F and the $ \frac{1}{2} $ -BPS Wilson loop expectation value $ \left\langle \mathcal{W}\right\rangle $ and also compute their large ’t Hooft coupling ( λ » 1) expansions. The structure of these expansions is different from the previously studied models without fundamental hypermultiplets. In the more tractable Sp(2 N ) case we find an exact resummed expression for the leading strong coupling terms at each order in the 1 /N expansion. We also determine the exponentially suppressed at large λ contributions to the non-planar corrections to F and $ \left\langle \mathcal{W}\right\rangle $ and comment on their resurgence properties. We discuss dual string theory interpretation of these strong coupling expansions.

1/N expansion↗

DOE OSTI2023

Non-isometric codes for the black hole interior from fundamental and effective dynamics

We introduce a new holographic map for encoding black hole interiors by including both fundamental and effective dynamics. This holographic map is constructed by evolving a state in the effective, semiclassical gravity description of the interior backwards in time to pull the degrees of freedom outside the black hole, before evolving forwards in time in the fundamental description. We show this “backwards-forwards” map is equivalent to a post-selection map of the type introduced by Akers, Engelhardt, Harlow, Penington, and Vardhan, and in the case of trivial effective interactions reduces to their model, while providing a suitable generalization when those interactions are nontrivial. We show the map is equivariant with respect to time evolution, and independent of any interactions outside the black hole. This construction includes interactions with an infaller in a way that preserves the unitarity of black hole evolution exactly and does not allow for superpolynomial computational complexity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Fundamental Solutions for Two-Point Boundary Value Problems in Orbital Mechanics

We consider a two-point boundary value problem (TPBVP) in orbital mechanics involving a small body (e.g., a spacecraft or asteroid) and N larger bodies. The least action principle TPBVP formulation is converted into an initial value problem via the addition of an appropriate terminal cost to the action functional. The latter formulation is used to obtain a fundamental solution, which may be used to solve the TPBVP for a variety of boundary conditions within a certain class. In particular, the method of convex duality allows one to interpret the least action principle as a differential game, where an opposing player maximizes over an indexed set of quadratics to yield the gravitational potential. In the case where the time duration is less than a specific bound, there exists a unique critical point for the resulting differential game, which yields the fundamental solution given in terms of the solutions of associated Riccati equations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Fundamental complement of a gravitating region

Any gravitating region a in any spacetime gives rise to a generalized entanglement wedge, the hologram e(a). Holograms exhibit properties expected of fundamental operator algebras, such as strong subadditivity, nesting, and no-cloning. But the entanglement wedge EW of an AdS boundary region B with commutant $\overline{B}$ satisfies an additional condition, complementarity: EW (B) is the spacelike complement of EW ($\overline{B}$) in the bulk. Here we identify an analogue of the boundary commutant $\overline{B}$ in general spacetimes: given a gravitating region a, its fundamental complement is the smallest wedge that contains all infinite world lines contained in the spacelike complement a' of a. We refine the definition of e(a) by requiring that it be spacelike to $\tilde{a}$. We prove that e(a) is the spacelike complement of e($\tilde{a}$) when the latter is computed in a'. We exhibit many examples of and of e(a) in de Sitter, flat, and cosmological spacetimes. Here, we find that a Big Bang cosmology (spatially closed or not) is trivially reconstructible: the whole universe is the entanglement wedge of any wedge inside it. But de Sitter space is not trivially reconstructible, despite being closed. We recover the AdS/CFT prescription by proving that EW (B) = e(causal wedge of B).

Bousso, Raphael [University of California, Berkele↗

DOE OSTI2018

Effect of a Nitrogen Impurity on the Fundamental Raman Band of Diamond Single Crystals

The effect of nitrogen defects in natural and synthetic diamond single crystals on the position and half-width of the fundamental Raman band was investigated. Samples containing the main types of nitrogen lattice defects at impurity contents of 1–1500 ppm were studied. The parameters of the Stokes and anti-Stokes components in Raman spectra of crystals situated in a cell with distilled water to minimize the influence of heating by the exciting laser radiation were analyzed to determine the effect of a nitrogen impurity in the diamond crystal lattice. It was shown that an increase of impurity atoms in the crystals in the studied concentration range resulted in broadening of the Raman band from 1.61 to 2.85 cm{sup –1} and shifting of the maximum to lower frequency from 1332.65 to 1332.3 cm{sup –1}. The observed effect was directly proportional to the impurity concentration and depended on the form of the impurity incorporated into the diamond lattice. It was found that the changes in the position and half-width of the fundamental Raman band for diamond were consistent with the magnitude of crystal lattice distortions due to the presence of impurity defects and obeyed the Gruneisen law.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Fundamental Operator-Valued Functions of Singular Integrodifferential Operators in Banach Spaces

In this paper, using methods of the theory of generalized functions in Banach spaces, we examine the Cauchy problem for an abstract integrodifferential equation of a specific type. Under the assumption that there exist the complete Jordan structure of the differential part of the equation and the order of the zero of the kernel of the integral part, the fundamental operator-valued function (the fundamental solution) is constructed for the corresponding integrodifferential operator, which is used for further investigation of the problem.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Fundamental Studies of New Ionization Technologies and Insights from IMS-MS

Exceptional ion mobility spectrometry mass spectrometry (IMS-MS) developments by von Helden, Jarrold, and Clemmer provided technology that gives a view of chemical/biological compositions previously not achievable. The ionization method of choice used with IMS-MS has been electrospray ionization (ESI). In this special issue contribution, we focus on fundamentals of heretofore unprecedented means for transferring volatile and nonvolatile compounds into gas-phase ions singly and multiply charged. These newer ionization processes frequently lead to different selectivity relative to ESI and, together with IMS-MS, may provide a more comprehensive view of chemical compositions directly from their original environment such as surfaces, e.g., tissue. Similarities of results using solvent- and matrix-assisted ionization are highlighted, as are differences between ESI and the inlet ionization methods, especially with mixtures such as bacterial extracts. Selectivity using different matrices is discussed, as are results which add to our fundamental knowledge of inlet ionization as well as pose additional avenues for inquiry. IMS-MS provides an opportunity for comparison studies relative to ESI and will prove valuable using the new ionization technologies for direct analyses. Our hypothesis is that some ESI-IMS-MS applications will be replaced by the new ionization processes and by understanding mechanistic aspects to aid enhanced source and method developments this will be hastened. .

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2015

Understanding fuel anti-knock performances in modern SI engines using fundamental HCCI experiments

Modern spark-ignition (SI) engine technologies have considerably changed in-cylinder conditions under which fuel autoignition and engine knock take place. In this paper, fundamental HCCI engine experiments are proposed as a means for characterizing the impact of these technologies on the knock propensity of different fuels. In particular, the impacts of turbocharging, direct injection (DI), and downspeeding on operation with ethanol and gasoline are investigated to demonstrate this approach. Results reported earlier for ethanol and gasoline on HCCI combustion are revisited with the new perspective of how their autoignition characteristics fit into the anti-knock requirement in modern SI engines. For example, the weak sensitivity to pressure boost demonstrated by ethanol in HCCI autoignition can be used to explain the strong knock resistance of ethanol fuels for turbocharged SI engines. Further, ethanol's high sensitivity to charge temperature makes charge cooling, which can be produced by fuel vaporization via direct injection or by piston expansion via spark-timing retard, very effective for inhibiting knock. On the other hand, gasoline autoignition shows a higher sensitivity to pressure, so only very low pressure boost can be applied before knock occurs. Gasoline also demonstrates low temperature sensitivity, so it is unable to make as effective use of the charge cooling produced by fuel vaporization or spark retard. These arguments comprehensively explain literature results on ethanol's substantially better anti-knock performance over gasoline in modern turbocharged DISI engines. Fundamental HCCI experiments such as these can thus be used as a diagnostic and predictive tool for knock-limited SI engine performance for various fuels. As a result, examples are presented where HCCI experiments are used to identify biofuel compounds with good potential for modern SI-engine applications.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2013

Hygroscopic La[B{sub 5}O{sub 8}(OH)]NO{sub 3}·2H{sub 2}O: Insight into the evolution of borate fundamental building blocks

Borates have exceptionally diverse fundamental building blocks (FBBs), but factors controlling the formation of borate FBBs are poorly understood. The title compound La[B{sub 5}O{sub 8}(OH)]NO{sub 3}·2H{sub 2}O crystallizes in the space group P2{sub 1}/n with a=6.5396(12) Å, b=15.550(3) Å, c=10.6719(19) Å, β=90.44(1)° and Z=4 at 173(2) K. Its structure has been refined from single-crystal X-ray diffraction data to R{sub 1}=0.049 (for 2465) and wR{sub 2}=0.173 (for 2459 I>2σ(I)). This structure analysis and first-principles calculations show that the change of the FBB from 3Δ2□ in the title compound to 2Δ3□ in La[B{sub 5}O{sub 8}(OH)(H{sub 2}O)]NO{sub 3}·2H{sub 2}O is accompanied by a rotation of the NO{sub 3} group. FTIR, Rietveld and thermal analysis results show that the hygroscopic title compound is partially changed to La[B{sub 5}O{sub 8}(OH)(H{sub 2}O)]NO{sub 3}·2H{sub 2}O, with the conversion of [BO{sub 3}] to [BO{sub 3}(H{sub 2}O)] by water absorption. - Graphical abstract: The change of fundamental building blocks from La[B{sub 5}O{sub 8}(OH)]NO{sub 3}·2H{sub 2}O to La[B{sub 5}O{sub 8}(OH)(H{sub 2}O)]NO{sub 3}·2H{sub 2}O is accompanied by a rotation of the NO{sub 3} group . Display Omitted - Highlights: • Synthesis of a new hydrous lanthanum polyborate nitrate. • Single-crystal XRD structure with the 3Δ2⎕ FBB and an oriented NO{sub 3} group. • DFT calculations locate the H positions in three lanthanide polyborate nitrates. • Rietveld, FTIR and DFT results show hygroscopicity changes the FBBs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2013

CdB{sub 10}O{sub 14}(OH){sub 4}·H{sub 2}O with an unprecedented decaborate fundamental building block

Graphical abstract: Display Omitted Highlights: ► CdB{sub 10}O{sub 14}(OH){sub 4}·H{sub 2}O is prepared by boric acid flux method. ► Its structure is solved by single-crystal X-ray diffraction in space group P2{sub 1}/n. ► It possesses an unprecedented decaborate fundamental building block B{sub 10}O{sub 20}. ► Structure features are discussed in detail and compared with other polyborates. -- Abstract: CdB{sub 10}O{sub 14}(OH){sub 4}·H{sub 2}O has been synthesized under boric acid flux condition and characterized by single-crystal X-ray diffraction, infrared spectra, and UV–vis reflectance spectroscopy. It crystallizes in the monoclinic space group P2{sub 1}/n with a = 7.7277(8), b = 18.95(2), c = 9.8616(10) Å, β= 91.454(1)°, V = 1443.7(3) Å. The structure consists of [B{sub 10}O{sub 16}(OH){sub 4}] layers of 9-membered borate rings enclosing Cd{sup 2+} cations. Adjacent borate layers are interconnected via hydrogen bonding to form a 3D network. It possesses an unprecedented decaborate fundamental building block B{sub 10}O{sub 20}. The structure details are discussed together with Sr[B{sub 6}O{sub 9}(OH){sub 2}]·3H{sub 2}O, Pb[B{sub 8}O{sub 11}(OH){sub 4}], Pr[B{sub 8}O{sub 11}(OH){sub 5}], and Nd[B{sub 9}O{sub 13}(OH){sub 4}]·H{sub 2}O, which have correlated FBBs. The band structure calculations show its direct energy band gap of ∼4.68 eV, in consistent with the estimated value (4.77 eV) from UV–vis. In addition, dielectric constants and refractive indexes are also calculated.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Electronic Structure Calculations of the Fundamental Interactions in Solvent Extraction Desalination

Solvent extraction desalination (SED) is a promising membrane-free desalination technology, but new solvents are still needed that can improve the molecular-level water selectivity, while minimizing solvent contamination in the aqueous phase. Improvements in solvent design for SED require a fundamental understanding of the molecular interactions governing solvation behavior. Herein, quantum chemical calculations are used to delineate different fundamental interactions in water-solvent systems involving 38 different solvents, with a particular focus on the role of the electrostatic potential characteristics. Furthermore, these interactions are rigorously analyzed using the independent gradient model based on Hirshfeld partition (IGMH), Symmetry-Adapted Perturbation Theory (SAPT), as well as the energy decomposition analysis based on force field (EDA-FF) to compare against a standard force field model. The solvation free energies and partition coefficients are also calculated to estimate water extraction performance in a bulk solvent system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗