Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Access”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,153 records · Page 64

Use of current-potential patches to obtain fundamental improvements to the coils of magnetic fusion devices

A central issue in the design of tokamaks or stellarators is the coils that produce the external magnetic fields. The freedom that remains unstudied in the design of coils is enormous. This freedom could be quickly studied computationally at low cost with high reliability. In particular, the space between toroidal field and modular coils that blocks access to the plasma chamber could be increased by a large factor. The concept of current-potential patches, which was developed in Todd Elder's thesis, provides a method for separating the study of the feasibility of coils with attractive physics properties from the engineering design of specific coils. In addition to enhanced accessibility, coils can be designed for increased plasma-coil separation, insensitivity to coil position errors, and plasma control.

Boozer, Allen H. [Columbia Univ., New York, NY (Un↗

Preventing ash from poisoning proton–boron 11 fusion plasmas

Proton–boron 11 (pB11) fusion is safe and clean, but also difficult to harness for breakeven power production. Particularly deleterious are fusion-born alpha particles, which massively increase both plasma pressure and bremsstrahlung losses unless they are pulled promptly from the plasma. We show that even if one cannot extract the alphas quickly, one can still achieve net power production, by separating the plasma into two regions: a fusion region, accessible to all species, and an alpha storage region, accessible only to alphas and electrons. This new demixing strategy could make pB11 fusion much easier to achieve.

Ochs, Ian E. (ORCID:0000000260029169)↗

Hydrodynamic and frictional modulation of deformations in switchable colloidal crystallites

Displacive transformations in colloidal crystals may offer a pathway for increasing the diversity of accessible configurations without the need to engineer particle shape or interaction complexity. To date, binary crystals composed of spherically symmetric particles at specific size ratios have been formed that exhibit floppiness and facile routes for transformation into more rigid structures that are otherwise not accessible by direct nucleation and growth. There is evidence that such transformations, at least at the micrometer scale, are kinetically influenced by concomitant solvent motion that effectively induces hydrodynamic correlations between particles. Here, we study quantitatively the impact of such interactions on the transformation of binary bcc-CsCl analog crystals into close-packed configurations. We first employ principal-component analysis to stratify the explorations of a bcc-CsCl crystallite into orthogonal directions according to displacement. We then compute diffusion coefficients along the different directions using several dynamical models and find that hydrodynamic correlations, depending on their range, can either enhance or dampen collective particle motions. These two distinct effects work synergistically to bias crystallite deformations toward a subset of the available outcomes.

42 ENGINEERING↗

Imaging conical intersection dynamics during azobenzene photoisomerization by ultrafast X-ray diffraction

Significance Vibronic coherences are unique features that emerge in the decisive moments of photochemistry and photophysics. Here we demonstrate how X-ray diffraction can access fundamental information about these coherences. This is enabled by recent developments at free-electron lasers, working toward temporal resolution and single-molecule accessibility of scattering-based measurements. Time-resolved diffraction patterns of the isomerization of azobenzene are simulated. The process is monitored in time via the momentum-space signal, with a special focus on the mixed elastic/inelastic scattering from coherences. We give practical ideas on how this relatively weak contribution to the signal can potentially be retrieved. A direct connection to the real-space movie of the conical intersection dynamics is made, enabling the observation of quantum coherences that direct chemical processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electronic coherences in nonadiabatic molecular photophysics revealed by time-resolved photoelectron spectroscopy

Significance Time-resolved photoelectron spectroscopy (TRPES) is a promising technique for the study of ultrafast molecular processes, such as the nonadiabatic dynamics taking place at conical intersections. Directly accessing the evolution of the coherences generated at the conical intersection should provide most valuable dynamical information. However, the signals are dominated by background contributions due to state populations, and most theoretical treatments completely neglect the role of the coherences. Here we show that distinguishable signatures of molecular coherences appear in TRPES. These can be recorded using currently available ultrashort pulses and unambiguously extracted at the postprocessing stage. The technique thus provides direct access to nonadiabatic coherence dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Bivalent molecular mimicry by ADP protects metal redox state and promotes coenzyme B 12 repair

Control over transition metal redox state is essential for metalloprotein function and can be achieved via coordination chemistry and/or sequestration from bulk solvent. Human methylmalonyl-Coenzyme A (CoA) mutase (MCM) catalyzes the isomerization of methylmalonyl-CoA to succinyl-CoA using 5′-deoxyadenosylcobalamin (AdoCbl) as a metallocofactor. During catalysis, the occasional escape of the 5′-deoxyadenosine (dAdo) moiety leaves the cob(II)alamin intermediate stranded and prone to hyperoxidation to hydroxocobalamin, which is recalcitrant to repair. In this study, we have identified the use of bivalent molecular mimicry by ADP, coopting the 5′-deoxyadenosine and diphosphate moieties in the cofactor and substrate, respectively, to protect against cob(II)alamin overoxidation on MCM. Crystallographic and electron paramagnetic resonance (EPR) data reveal that ADP exerts control over the metal oxidation state by inducing a conformational change that seals off solvent access, rather than by switching five-coordinate cob(II)alamin to the more air stable four-coordinate state. Subsequent binding of methylmalonyl-CoA (or CoA) promotes cob(II)alamin off-loading from MCM to adenosyltransferase for repair. This study identifies an unconventional strategy for controlling metal redox state by an abundant metabolite to plug active site access, which is key to preserving and recycling a rare, but essential, metal cofactor.

Science & Technology - Other Topics↗

Probing the dynamics and bottleneck of the key atmospheric SO 2 oxidation reaction by the hydroxyl radical

SO 2 (Sulfur dioxide) is the major precursor to the production of sulfuric acid (H 2 SO 4 ), contributing to acid rain and atmospheric aerosols. Sulfuric acid formed from SO 2 generates light-reflecting sulfate aerosol particles in the atmosphere. This property has prompted recent geoengineering proposals to inject sulfuric acid or its precursors into the Earth’s atmosphere to increase the planetary albedo to counteract global warming. SO 2 oxidation in the atmosphere by the hydroxyl radical HO to form HOSO 2 is a key rate-limiting step in the mechanism for forming acid rain. However, the dynamics of the HO + SO 2 → HOSO 2 reaction and its slow rate in the atmosphere are poorly understood to date. Herein, we use photoelectron spectroscopy of cryogenically cooled HOSO 2 – anion to access the neutral HOSO 2 radical near the transition state of the HO + SO 2 reaction. Spectroscopic and dynamic calculations are conducted on the first ab initio-based full-dimensional potential energy surface to interpret the photoelectron spectra of HOSO 2 – and to probe the dynamics of the HO + SO 2 reaction. In addition to the finding of a unique pre-reaction complex (HO⋯SO 2 ) directly connected to the transition state, dynamic calculations reveal that the accessible phase space for the HO + SO 2 → HOSO 2 reaction is extremely narrow, forming a key reaction bottleneck and slowing the reaction rate in the atmosphere, despite the low reaction barrier. This study underlines the importance of understanding the full multidimensional potential energy surface to elucidate the dynamics of complex bimolecular reactions involving polyatomic reactants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Chemical bonding dictates drastic critical temperature difference in two seemingly identical superconductors

Though YB 6 and LaB 6 share the same crystal structure, atomic valence electron configuration, and phonon modes, they exhibit drastically different phonon-mediated superconductivity. YB 6 superconducts below 8.4 K, giving it the second-highest critical temperature of known borides, second only to MgB 2 . LaB 6 does not superconduct until near-absolute zero temperatures (below 0.45 K), however. Though previous studies have quantified the canonical superconductivity descriptors of YB 6 ’s greater Fermi-level (E f ) density of states and higher electron–phonon coupling (EPC), the root of this difference has not been assessed with full detail of the electronic structure. Through chemical bonding, we determine low-lying, unoccupied 4f atomic orbitals in lanthanum to be the key difference between these superconductors. These orbitals, which are not accessible in YB 6 , hybridize with π B–B bonds and bring this π-system lower in energy than the σ B–B bonds otherwise at E f . This inversion of bands is crucial: the optical phonon modes we show responsible for superconductivity cause the σ-orbitals of YB 6 to change drastically in overlap, but couple weakly to the π-orbitals of LaB 6 . These phonons in YB 6 even access a crossing of electronic states, indicating strong EPC. No such crossing in LaB 6 is observed. Finally, a supercell (the M k-point) is shown to undergo Peierls-like effects in YB 6 , introducing additional EPC from both softened acoustic phonons and the same electron-coupled optical modes as in the unit cell. Overall, we find that LaB 6 and YB 6 have fundamentally different mechanisms of superconductivity, despite their otherwise near-identity.

Science & Technology - Other Topics↗

Rational design, synthesis, and evaluation of uncharged, “smart” bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase

Organophosphate (OP) intoxications from nerve agent and OP pesticide exposures are managed with pyridinium aldoxime–based therapies whose success rates are currently limited. The pyridinium cation hampers uptake of OPs into the central nervous system (CNS). Furthermore, it frequently binds to aromatic residues of OP-inhibited acetylcholinesterase (AChE) in orientations that are nonproductive for AChE reactivation, and the structural diversity of OPs impedes efficient reactivation. Improvements of OP antidotes need to include much better access of AChE reactivators to the CNS and optimized orientation of the antidotes' nucleophile within the AChE active-center gorge. On the basis of X-ray structures of a CNS-penetrating reactivator, monoxime RS194B, reversibly bound to native and venomous agent X (VX)–inhibited human AChE, here we created seven uncharged acetamido bis-oximes as candidate antidotes. Both oxime groups in these bis-oximes were attached to the same central, saturated heterocyclic core. Diverse protonation of the heterocyclic amines and oxime groups of the bis-oximes resulted in equilibration among up to 16 distinct ionization forms, including uncharged forms capable of diffusing into the CNS and multiple zwitterionic forms optimal for reactivation reactions. Conformationally diverse zwitterions that could act as structural antidote variants significantly improved in vitro reactivation of diverse OP-human AChE conjugates. Oxime group reorientation of one of the bis-oximes, forcing it to point into the active center for reactivation, was confirmed by X-ray structural analysis. Finally, our findings provide detailed structure-activity properties of several CNS-directed, uncharged aliphatic bis-oximes holding promise for use as protonation-dependent, conformationally adaptive, “smart” accelerated antidotes against OP toxicity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Early-Stage Radiation Safety Analysis for the Spallation Neutron Source Second Target Station Bunker Operations

The Second Target Station project at Oak Ridge National Laboratory will develop a cold neutron source to meet growing experimental needs. This paper describes calculations of the residual dose rates associated with the monolith shield plug and the beamline bunker, two key conventional operations and radiation safety features. While neutron production is active, the instrument hall outside the bunker must be generally accessible with dose rates of less than 0.25 mrem/h. When neutron production is halted, the bunker must be accessible for hands-on maintenance operations. Further, these two requirements form the cause for the assessments reported herein of residual dose rates caused by the monolith shield plug and residual dose rates in the bunker. The monolith shield plug was shown to not produce significant dose rates inside the bunker after a 20-year lifetime, and the residual dose rates inside the bunker for the case of an operating beamline were shown to reasonably allow for hands-on maintenance. These calculations are based on preliminary design models of the relevant systems. Additionally, an example showing the significance of considering neutron supermirror physics in transport calculations that track nuclide production and destruction rates to produce gamma sources for residual dose rate calculations is included. The example shows that if neutron supermirror physics is not considered, dose rate fields may be significantly underpredicted.

61 RADIATION PROTECTION AND DOSIMETRY↗

Drivers and energy justice implications of renewable energy project siting in the United States

The rapid expansion of solar and wind energy projects is raising questions of energy justice. Some scholars argue that solar and wind project development could burden under-resourced communities with negative impacts such as environmental harm and reduced access to resources. Conversely, other scholars argue that project development could be a boon to under-resourced communities, providing local economic and cultural benefits. Here, we analyze the drivers of solar and wind project siting patterns in the United States and explore their potential energy justice implications. We find that siting patterns are driven primarily by technoeconomic factors, especially resource quality and access to open undeveloped spaces. These technoeconomic factors channel projects into sparsely populated rural areas and, to a lesser extent, areas with lower income levels. Here, we avoid simplifying assumptions about the broad justice implications of these siting patterns and explore our results from multiple perspectives.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Building Inclusive Educational and Career Pathways in Fusion Energy

This paper was written in preparation for the Workforce Accelerator for Fusion Energy Development conference, which was funded by the National Science Foundation. Prior to the conference, participants from academia, government, industry, national laboratories, and nonprofit organizations worked together to write White papers. Held in Hampton, Virginia, in May 2024, the conference convened participants to discuss various topics in support of workforce development in fusion energy. As the fusion industry expands, efforts to recruit and retain a diverse workforce, ensure equitable access to fusion education, and gain public support will be critical to meeting workforce needs in this field. We outline strategic recommendations across three vital areas: improving diversity data collection; supporting career advancement and retention with a diversity, equity, inclusion, accessibility, and belonging focus; and strengthening community engagement and education in fusion energy.

Cote, Laleh [Lawrence Berkeley National Laboratory↗

Zinc binding alters the conformational dynamics and drives the transport cycle of the cation diffusion facilitator YiiP

YiiP is a secondary transporter that couples Zn 2+ transport to the proton motive force. Structural studies of YiiP from prokaryotes and Znt8 from humans have revealed three different Zn 2+ sites and a conserved homodimeric architecture. These structures define the inward-facing and outward-facing states that characterize the archetypal alternating access mechanism of transport. To study the effects of Zn 2+ binding on the conformational transition, we use cryo-EM together with molecular dynamics simulation to compare structures of YiiP from Shewanella oneidensis in the presence and absence of Zn 2+ . To enable single-particle cryo-EM, we used a phage-display library to develop a Fab antibody fragment with high affinity for YiiP, thus producing a YiiP/Fab complex. To perform MD simulations, we developed a nonbonded dummy model for Zn 2+ and validated its performance with known Zn 2+ -binding proteins. Using these tools, we find that, in the presence of Zn 2+ , YiiP adopts an inward-facing conformation consistent with that previously seen in tubular crystals. After removal of Zn 2+ with high-affinity chelators, YiiP exhibits enhanced flexibility and adopts a novel conformation that appears to be intermediate between inward-facing and outward-facing states. This conformation involves closure of a hydrophobic gate that has been postulated to control access to the primary transport site. Comparison of several independent cryo-EM maps suggests that the transition from the inward-facing state is controlled by occupancy of a secondary Zn 2+ site at the cytoplasmic membrane interface. This work enhances our understanding of individual Zn 2+ binding sites and their role in the conformational dynamics that govern the transport cycle.

59 BASIC BIOLOGICAL SCIENCES↗

Revealing the structure of light pseudoscalar mesons at the electron–ion collider

The questions of how the bulk of the Universe's visible mass emerges and how it is manifest in the existence and properties of hadrons are profound, and probe the heart of strongly interacting matter. Paradoxically, the lightest pseudoscalar mesons appear to be key to a further understanding of the emergent mass and structure mechanisms. These mesons, namely, the pion and kaon, are the Nambu-Goldstone boson modes of quantum chromodynamics (QCD). Unravelling their partonic structure and the interplay between emergent and Higgs-boson mass mechanisms is a common goal of three interdependent approaches - continuum QCD phenomenology, lattice-regularised QCD, and the global analysis of parton distributions - linked to experimental measurements of hadron structure. Experimentally, the anticipated electron-ion collider will enable a revolution in our ability to study pion and kaon structures, accessed by scattering from the 'meson cloud' of the proton through the Sullivan process. With the goal of enabling a suite of measurements that can address these questions, we examine key reactions that identify the critical detector-system requirements needed to map tagged pion and kaon cross-sections over a wide range of kinematics. The excellent prospects for extracting pion structural, functional, and form-factor data are outlined, and similar prospects for kaon structures are discussed in the context of a worldwide programme. Finally, the successful completion of the programme outlined herein will deliver deep, far-reaching insights into the emergence of pions and kaons, their properties, and their role as QCD's Goldstone boson modes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Comparing the fluorination of Pb+ and Po+: insights into p-block relativistic effects for superheavy elements

It is expected that the chemical properties of the heaviest of the superheavy elements (SHEs, = 113 – 118) do not align with what is suggested by their current positions on the periodic table. Specifically, the onset of significant relativistic effects, including increased spin–orbit splitting of the p-orbitals may lead to enhanced stability of low-oxidation states. Notably, it is predicted that flerovium ( = 114) may exhibit pseudo-noble gas behavior from a electron configuration that acts as an ‘inert pair’. Even though it is expected that the – splitting becomes pronounced toward the end of the p-block’s sixth row, there is currently limited experimental evidence to confirm its extent or impact. Here, the production of gas-phase lead ( = 82) and polonium ( = 84) fluoride cations (PbF and PoF ) were compared to elucidate differences in accessible oxidation states. The PoF and PbF species were produced and identified with the FIONA spectrometer at the Lawrence Berkeley National Laboratory 88-Inch Cylctron Facility. Polonium showed notably different fluorination chemistry than lead, producing PoF and PoF as primary products compared to lead’s PbF and PbF . The distribution of PoF products observed offer insights as to the role of spin–orbit splitting for polonium. Similar studies of superheavy elements would elucidate the accessibility of their low-oxidation states as well as to inform chemical predictions for eighth-row elements not yet discovered.

Pore, Jennifer L [Nuclear Science Division, Lawren↗

Excited state lifetime modulation in semiconductor nanocrystals for super-resolution imaging

Abstract We report on proof of principle measurements of a concept for a super-resolution imaging method that is based on excitation field density-dependent lifetime modulation of semiconductor nanocrystals. The prerequisite of the technique is access to semiconductor nanocrystals with emission lifetimes that depend on the excitation intensity. Experimentally, the method requires a confocal microscope with fluorescence-lifetime measurement capability that makes it easily accessible to a broad optical imaging community. We demonstrate with single particle imaging that the method allows one to achieve a spatial resolution of the order of several tens of nanometers at moderate fluorescence excitation intensity.

36 MATERIALS SCIENCE↗

Isotope effects on transport in LHD

Abstract Isotope effects are one of the most important issues for predicting future reactor operations. Large helical device (LHD) is the presently working largest stellarator/helical device using super conducting helical coils. In LHD, deuterium experiments started in 2017. Extensive studies regarding isotope effects on transport have been carried out. In this paper, the results of isotope effect studies in LHD are reported. The systematic studies were performed adjusting operational parameters and nondimensional parameters. In L mode like normal confinement plasma, where internal and edge transport barriers are not formed, the scaling of global energy confinement time ( τ E ) with operational parameters shows positive mass dependence ( M 0.27 ; where M is effective ion mass) in electron cyclotron heating plasma and no mass dependence ( M 0.0 ) in neutral beam injection heating plasma. The non-negative ion mass dependence is anti-gyro-Bohm scaling. The role of the turbulence in isotope effects was also found by turbulence measurements and gyrokinetic simulation. Better accessibility to electron and ion internal transport barrier (ITB) plasma is found in deuterium (D) plasma than in hydrogen (H). Gyro kinetic non-linear simulation shows reduced ion heat flux due to the larger generation of zonal flow in deuterium plasma. Peaked carbon density profile plays a prominent role in reducing ion energy transport in ITB plasma. This is evident only in plasma with deuterium ions. New findings on the mixing and non-mixing states of D and H particle transports are reported. In the mixing state, ion particle diffusivities are higher than electron particle diffusivities and D and H ion density profiles are almost identical. In the non-mixing state, ion particle diffusivity is much lower than electron diffusivity. Deuterium and hydrogen ion profiles are clearly different. Different turbulence structures were found in the mixing and non-mixing states suggesting different turbulence modes play a role.

Physics↗

First DIII-D-West hybrid scenario similarity experiments for iter-relevant long-pulse operation

For the first time, similarity experiments between DIII-D and WEST were performed in the ITER "hybrid-like" regime during dedicated campaigns in April and May 2025. The matched parameters include elongation, triangularity, ion ∇B drift direction toward the X-point, qprofile, and core normalized physics quantities in terms of normalized pressure, normalized gyroradius, electron collisionality, ratio of ion to electron temperature, T i /T e . Core transport physics is explored with different aspect ratio (R/a) values (typically 3 at DIII-D and 5 on WEST). DIII-D explored high-beta conditions (electromagnetic effect) with low torque injection (~0 ± 0.5 N•m) using high heating power (up to 6 MW NBI and 2 MW ECRH powers), while scanning the heating mix (ion vs electron), beta, T i /T e , core radiation via controlled tungsten injection using the Laser Blow-Off system. WEST extended operation toward long-duration pulses using its actively cooled tungsten divertor, achieving dominated electron heating regimes with reduced tungsten contamination. Boron impurity injection were scanned on WEST to control edge conditions and core performance. It is found that core confinement improves-manifested by higher electron temperature, total energy content, neutron rate, and ion temperatureunder conditions of low separatrix density, consistent with previous observations [Bourdelle et al., Nucl. Fusion 63 (2023) 056021]. Conditions for Hmode access and for ion heating in electron-dominated regimes in both WEST and DIII-D will be discussed and compared. The ratio of the thermal energy confinement time (τ E ) to the volume-averaged electron-ion collisional heat exchange time (τ e-i ) is a key parameter to enhance ion heating and potentially facilitate H-mode access in electron-heated regimes. These first-of-a-kind coordinated DIII-D and WEST experiments provide a unique multi-machine dataset to validate predictive models and to optimize ITER hybrid-scenario performance under diverse core and edge conditions.

DIII-D↗