Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “TiP”

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 37 records · Page 2

Identifying crack tip position and stress intensity factors from displacement data

Fracture prognosis and characterization efforts require knowledge of crack tip position and the Stress Intensity Factors (SIFs) acting in the vicinity of the crack. Here, in this work, we present an efficient numerical approach to infer both of these characteristics under a consistent theoretical framework from noisy, unstructured displacement data. The novel approach utilizes the separability of the asymptotic linear elastic fracture mechanics fields to expedite the search for crack tip position and is particularly useful for noisy displacement data. The manuscript begins with an assessment of the importance of accurately locating crack tip position when quantifying the SIFs from displacement data. Next, the proposed separability approach for quickly inferring crack tip position is introduced. Comparing to the widely used displacement correlation approach, the performance of the separability approach is assessed. Cases involving both noisy data and systematic deviation from the asymptotic linear elastic fracture mechanics model are considered, e.g. inelastic material behavior and finite geometries. An open source python implementation of the proposed approach is available for use by those doing field and laboratory work involving digital image correlation and simulations, e.g. finite element, discrete element, molecular dynamics and peridynamics, where the crack tip position is not explicitly defined.

36 MATERIALS SCIENCE↗

Novel Cell-Type-Specific Drought-Responsive Proteins in Root Tips of Field-Grown Perennial Switchgrass

The root-tip region of plants, including the root cap, forms the most basal terminal of the root and exhibits a high degree of cellular complexity in terms of morphology, cytological function, and interaction with environmental cues in the soil. Cells in this region follow a developmental trajectory, transitioning from stem cells to meristematic cells, and ultimately to fully differentiated cell types. However, our understanding of root-tip cell-type specific proteomic responses to abiotic stresses, such as drought, particularly under field conditions, remains limited. This study aimed to identify spatially resolved, cell type-specific proteomes in switchgrass (Panicum virgatum) root tips under drought stress. Root tips were collected from seven-year-old, field-grown switchgrass ‘Alamo’ plants excavated under both well-watered and long-term drought conditions. Cell type-specific proteins were identified using laser capture microdissection (LCM) coupled with nanoPOTS (Nanodroplet Processing in One Pot for Trace Samples) and nano-LC-MS proteomics analysis. Five distinct cell types were targeted: (1) cells in the quiescent center and stem cell niche (QuC), (2) protodermal epidermal cells (PEC) in the meristematic zone, (3) epidermal cells in the transition and elongation zones above the root cap (Epi), (4) peripheral root cap cells (PRC), forming 2–3 layers below the PEC and 1–2 layers above the root border cells, and (5) columella root cap cells (Col) comprising of the columella initials and a single underlying layer of cells undergoing active growth. Principal component analysis (PCA) revealed clear separation among the five targeted cell types, confirming distinct proteomic profiles. Proteins predominantly enriched in each cell type were linked to distinct cellular functions, with QuC cells showing involvement in chromosomal behavior, DNA replication, and mitosis—key processes for stem cell niche regulation. Drought stress resulted in alterations of proteostasis, as evidenced by significant decreases in ribosomal proteins and increases in protein synthesis inhibitors. Moreover, drought stress induced unique cell-type–specific proteins involved in phytohormone biosynthesis and signaling pathways, including auxin, cytokinin, and jasmonic acid. In particular, QuC cells were more highly enriched in proteins associated with DNA repair and mitotic processes. Metabolic pathways related to amino acids, carbohydrates, and lipids were differentially affected in a cell-type–dependent manner, whereas general stress-responsive proteins exhibited consistent changes across all five cell types. Overall, this study provides unique spatially resolved, cell-type-specific proteomic profiles in root tips, representing a significant advancement in our understanding of the cellular mechanisms underlying plant responses to drought stress in natural field conditions.

perennial grass↗

Optimal control of polar sea-ice near its tipping points

Abstract Several Earth system components are at a high risk of undergoing rapid, irreversible qualitative changes or “tipping” with increasing climate warming. It is therefore necessary to investigate the feasibility of arresting or even reversing the crossing of tipping thresholds. Here, we study feedback control of an idealized energy balance model (EBM) for Earth’s climate, which exhibits a “small icecap” instability responsible for a rapid transition to an ice-free climate under increasing greenhouse gas forcing. We develop an optimal control strategy for the EBM under different forcing scenarios to reverse sea-ice loss while minimizing costs. Control is achievable for this system, but the cost nearly quadruples once the system tips. While thermal inertia may delay tipping, leading to an overshoot of the critical forcing threshold, this leeway comes with a steep rise in requisite control once tipping occurs. Additionally, we find that the optimal control is localized in the polar region.

54 ENVIRONMENTAL SCIENCES↗

Data-driven equation-free dynamics applied to many-protein complexes: The microtubule tip relaxation

Microtubules (MTs) constitute the largest components of the eukaryotic cytoskeleton and play crucial roles in various cellular processes, including mitosis and intracellular transport. The property allowing MTs to cater to such diverse roles is attributed to dynamic instability, which is coupled to the hydrolysis of GTP (guanosine-5'-triphosphate) to GDP (guanosine-5'-diphosphate) within the β-tubulin monomers. Understanding the equilibrium dynamics and the structural features of both GDP- and GTP-complexed MT tips, especially at an all-atom level, remains challenging for both experimental and computational methods because of their dynamic nature and the prohibitive computational demands of simulating large, many-protein systems. This study employs the “equation-free” multiscale computational method to accelerate the relaxation of all-atom simulations of MT tips toward their putative equilibrium conformation. Using large MT lattice systems (14 protofilaments × 8 heterodimers) comprising ~21-38 million atoms, we applied this multiscale approach to leapfrog through time and nearly double the computational efficiency in realizing relaxed all-atom conformations of GDP- and GTP-complexed MT tips. Commencing from an initial 4 μs unbiased all-atom simulation, we interleave coarse projective “equation-free” jumps with short bursts of all-atom molecular dynamics simulation to realize an additional effective simulation time of 1.875 μs. Our 5.875 μs of effective simulation trajectories for each system expose the subtle yet essential differences in the structures of MT tips as a function of whether β-tubulin monomer is complexed with GDP or GTP, as well as the lateral interactions within the MT tip, offering a refined understanding of features underlying MT dynamic instability. Furthermore, the approach presents a robust and generalizable framework for future explorations of large biomolecular systems at atomic resolution.

Wu, Jiangbo [University of Chicago, IL (United Sta↗

Polarization‐Engineered Near‐Field Generation Using a Hybrid Tip–Antenna System

Precise control of light polarization at the nanoscale is critical for accessing chiral optical responses and manipulating spin–photon interactions in advanced materials. Yet, conventional scattering-type near-field probes predominantly generate out-of-plane linear polarization and offer little control over phase or polarization state. Here, in this study, we introduce a polarization-engineered near-field methodology based on a combined metallic tip and planar dipole nanoantenna system. Using full-wave electromagnetic simulations, we show that the tip acts as a vertically oriented plasmonic resonator, while the antenna supports an in-plane dipolar mode. By tuning the tip–antenna geometry and tip height, the two orthogonal field components attain comparable amplitudes and a controllable ∼90° phase offset, producing circularly polarized nano-light in the antenna gap. The proposed system effectively functions as a nanoscale quarter-wave plate, converting linearly polarized illumination into circularly polarized hotspots without external polarization optics. This method establishes an experimentally accessible route toward polarization-programmable near-field nanoscopy, enabling chiral spectroscopy, selective excitation of spin/valley degrees of freedom, and quantum optical investigations at the nanoscale.

36 MATERIALS SCIENCE↗

ITER Toroidal Interferometer and Polarimeter (TIP) beam refraction in 3D density profiles

Calculations of the expected refraction of the five ITER Toroidal Interferometer and Polarimeter (TIP) chords are presented for a range of conditions including high-density axisymmetric, ELMing H-mode cases and shattered pellet disruption mitigation cases. The calculations are carried out with a newly developed ray tracing code capable of following TIP’s 10.59 μm laser beams through arbitrary 3D electron density profiles. Using JOREK simulations of ELM density perturbations in a 15MA ITER baseline plasma, it is shown that refraction from ELMs is expected to be negligible. It is found, however, that TIP interferometers will be able to clearly resolve the line-integrated density perturbation from ELMs and contribute to the ITER measurement requirement “14. H-mode, ELMs and L-H mode transition indicator”. Calculations of the expected refraction in a NIMROD simulated shattered pellet disruption mitigation scenario with peak local electron densities of n e = 3.7 x 10 21 m -3 (max line-averaged densities of n avg = 1.3 x 10 21 m -3 ) also show tolerable refraction and it is likely that most, if not all chords, would avoid signal loss. In conclusion, for both axisymmetric and structured plasmas with line-averaged densities in the mid to upper 10 21 m -3 range, values likely present only during disruption mitigation, refraction becomes significant and could limit the ability of TIP to make reliable density measurements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Imaging Plasmons with Sub-2 nm Spatial Resolution via Tip-Enhanced Four-Wave Mixing

Four-wave mixing at plasmonic tip-sample nanojunctions may be used to visualize plasmonic fields with sub-2nm spatial resolution under ambient laboratory conditions. We illustrate the latter using a gold-coated atomic force microscopy probe irradiated with a pair of near-IR femtosecond laser pulses and used to interrogate plasmonic gold nanoplates and silver nanocubes. Through diagnostic polarization-dependent tip-only measurements, we illustrate that the 4-wave mixing signal is localized to the tip apex. The apex-bound signal is further enhanced when the tip is located near plasmonic nanoparticles. Overall, this work paves the way for visualizing coherent electronic and vibrational dynamics with joint femtosecond temporal and few-nanometer spatial resolution under ambient conditions.

Wang, Chih-Feng↗

Crack tip microplasticity mediated by microstructure gradients

Abstract Traditional fracture theories infer damage at cracks (local field) by surveying loading conditions away from cracks (far field). This approach has been successful in predicting ductile fracture, but it normally assumes isotropic and homogeneous materials. However, myriads of manufacturing procedures induce heterogeneous microstructural gradients that can affect the accuracy of traditional fracture models. This work presents a microstructure‐sensitive finite element approach to explore the shielding effects of grain size and crystallographic orientation gradients on crack tip microplasticity and blunting. A dislocation density‐based crystal plasticity model conveys texture evolution, grain size effects, and directional hardening by computing the constraint from dislocation structures. The results demonstrate that the microstructure can act as a buffer between the local and far fields that affects the crack tip microplasticity variability. For nominal opening loading, grain size and texture affect the local ductility and induce a non‐negligible multiaxial plastic deformation. Furthermore, driving forces based on measuring displacements away from the crack tip are less affected by the microstructure, which suggests that traditional experimental methods smear out important crack tip variability.

Castelluccio, Gustavo M.↗

Metal Bellows Valve Reliability Testing - Copper Stem Tip Testing

SRNL was funded in Mid-Year FY20 by NNSA NA-231 to continue evaluation of alternate valves for use in tritium service to support domestic Mo-99 production. The focus of the effort was to identify valve cycle life as a function of actuator size and stem tip material. Using the minimum size actuator to reliability open and close valves can reduce glovebox size and thus support domestic companies to “come to market” faster in supplying Mo-99 to the US market. This report serves as a continuation to the FY19 report and summarizes the task activities completed in FY20 after authorization to start work was obtained on May 5 th , 2020. Copper stem tips were tested on the Swagelok 1C and 5C actuated metal bellows valves. With ambitions to cycle each set 150,000 times, both 1C and 5C valves were met with high failure rates. The smaller 1C actuated valves required additional closing pressure to form a seal with the Cu stem tips installed however, excessive stem tip deformation may be the root cause of the majority of the valves failing before 500 cycles. The larger 5C actuated valves were cycled 150,000 times but still resulted in 80% failure rate, suspected of metal fatigue in the bellows due to high cycling frequencies.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

SPRUCE Root Tip and Ectomycorrhizal Fungi Colonization Measurements from Ingrowth Cores, 2017

This data set contains root tip and ectomycorrhizal fungi colonization measurements taken from ingrowth cores from the SPRUCE experiment (Hanson et al. 2017) that were deployed during the 2017 growing season (2017-06 to 2017-10-01). This study explored the relationship between warming treatments and fine-root growth. Increased fine-root growth may increase root exudates and accelerate turnover, representing an underlying mechanism for peat decomposition through priming, as exudates provide a labile carbon source to the microbial community. Roots of two tree species were studied: an evergreen conifer Picea mariana (black spruce) and a deciduous conifer Larix laricina (tamarack). Measurements include root tips counts and densities by tree species and the abundance of ectomycorrhizal colonization on root tips. This dataset contains one data file in comma separate (.csv) format. Additional metadata are provided: one data dictionary and a file-level metadata file in comma separate (.csv) format and a user guide in PDF (*.pdf) format.

black spruce [Picea mariana]↗

Numerical investigation of the influence of shear and thermal stratification on the wind turbine tip‐vortex stability

Summary The interaction between wind turbine wakes and atmospheric turbulence is characterised by complex dynamics. In this study, two major components of the atmospheric boundary layer dynamics have been isolated, namely, the mean velocity profile shear and the thermal stratification, to examine their impact on the near‐wake development by undertaking a series of highly resolved large‐eddy simulations. Subsequently, instantaneous flow fields are extracted from the simulations and used to conduct Fourier analysis and proper orthogonal decomposition (POD) and compute the mean kinetic energy fluxes by different POD modes to better understand the tip‐vortex instability mechanisms. Our findings indicate that shear can significantly affect the breakup of the wind turbine tip‐vortices and the shape and stable length of the wake, whereas thermal stratification seems to only have limited contribution to the spatial development of the near‐wake field. Finally, our analysis shows that the applied perturbation frequency determines the tip‐vortex breakup location as it controls the onset of the mutual inductance instability.

17 WIND ENERGY↗

VPS45 is required for both diffuse and tip growth of Arabidopsis thaliana cells

Introduction VPS45 belongs to the Sec1/Munc18 family of proteins, which interact with and regulate Qa-SNARE function during membrane fusion. We have shown previously that Arabidopsis thaliana VPS45 interacts with the SYP61/SYP41/VTI12 SNARE complex, which locates on the trans -Golgi network (TGN). It is required for SYP41 stability, and it functions in cargo trafficking to the vacuole and in cell expansion. It is also required for correct auxin distribution during gravitropism and lateral root growth. Results As vps45 knockout mutation is lethal in Arabidopsis, we identified a mutant, vps45-3 , with a point mutation in the VPS45 gene causing a serine 284-to-phenylalanine substitution. The VPS45-3 protein is stable and maintains interaction with SYP61 and SYP41. However, vps45-3 plants display severe growth defects with significantly reduced organ and cell size, similar to vps45 RNAi transgenic lines that have reduced VPS45 protein levels. Root hair and pollen tube elongation, both processes of tip growth, are highly compromised in vps45-3 . Mutant root hairs are shorter and thicker than those of wild-type plants, and are wavy. These root hairs have vacuolar defects, containing many small vacuoles, compared with WT root hairs with a single large vacuole occupying much of the cell volume. Pollen tubes were also significantly shorter in vps45-3 compared to WT. Discussion We thus show that VPS45 is essential for proper tip growth and propose that the observed vacuolar defects lead to loss of the turgor pressure needed for tip growth.

59 BASIC BIOLOGICAL SCIENCES↗

Tip‐Enhanced Imaging and Control of Infrared Strong Light‐Matter Interaction

Optical antenna resonators enable control of light‐matter interactions on the nano‐scale via electron–photon hybrid states in strong coupling. Specifically, mid‐infrared (MIR) nano‐antennas coupled to saturable intersubband transitions in multi‐quantum‐well (MQW) semiconductor heterostructures allow for the coupling strength to be tuned through antenna resonance and field intensity. Here, in this study, tip‐enhanced nano‐scale variation of antenna‐MQW coupling across the antenna is demonstrated, with a spatially‐dependent coupling strength $g_{\textrm{aq}}$ varying from 73 (strong coupling) to 24 cm -1 (weak coupling). This behavior is modeled based on the spatially dependent local constructive and destructive interference between tip and antenna fields. Using a quantum‐mechanical density‐matrix model of the MQW system with its designed values of transition dipole moment, doping density, and population decay time, the picosecond IR pulse coupling to intersubband transitions and the associated tip induced strong‐field saturation effects are described. These results present a new regime of nonlinear IR light‐matter control based on the dynamic manipulation of quantum hybrid states on the nanoscale and in the infrared, with a perspective regarding extension to molecular vibrations.

Wang, Yueying↗

Moving beyond the Solvent-Tip Approximation to Determine Site-Specific Variations of Interfacial Water Structure through 3D Force Microscopy

Although interfacial solution structure impacts environmental, biological, and technological phenomena, including colloidal stability, protein assembly, heterogeneous nucleation, and water desalination, its molecular details remain poorly understood. Here, we visualize the three-dimensional (3D) hydration structure at the boehmite(010)-water interface using fast force mapping (FFM). Using a self-consistent scheme to decouple long-range tip-sample interactions from short-range solvation forces, we obtain the solution structure with lattice resolution. The results are benchmarked against molecular dynamics simulations that explicitly include the effects of the tip with different levels of approximation and systematically account for tip size, chemistry, and confinement effects. We find four laterally structured water layers within 1 nm of the surface, with the highest water densities at sites adjacent to hydroxyl groups. The key features beyond the first two layers can only be predicted using a full-scale simulation of the boehmite-water-silica system. Our findings further reveal a complex relationship between site-specific chemistry, water density, and long-range particle interactions; and present important advances toward quantitative data interpretation in 3D FFM.

36 MATERIALS SCIENCE↗

Multimodal Tip-Enhanced Nonlinear Optical Nanoimaging of Plasmonic Silver Nanocubes

Optical field localization at plasmonic tip-sample nanojunctions has enabled high spatial resolution chemical analysis through tip-enhanced linear optical spectroscopies, including Raman scattering and photoluminescence. In this work, we illustrate that nonlinear optical processes, including parametric four-wave mixing (4WM), second harmonic/sum-frequency generation (SHG and SFG), and two-photon photoluminescence (TPPL), can be enhanced at plasmonic junctions and spatio-spectrally resolved simultaneously with few-nm spatial resolution under ambient conditions. More importantly, through a detailed analysis of our spectral nano-images, we find that the efficiencies of the local nonlinear signals are determined by sharp tip-sample junction resonances that vary over the few-nanometer length scale because of the corrugated nature of the probe. Namely, plasmon resonances centered at or around the different nonlinear signals are tracked through TPPL, and they are found to selectively enhance nonlinear signals with closely matched optical resonances.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Photocatalytic Semiconductor–Metal Hybrid Nanoparticles: Single-Atom Catalyst Regime Surpasses Metal Tips

Semiconductor–metal hybrid nanoparticles (HNPs) are promising materials for photocatalytic applications, such as water splitting for green hydrogen generation. While most studies have focused on Cd containing HNPs, the realization of actual applications will require environmentally compatible systems. Using heavy-metal free ZnSe-Au HNPs as a model, we investigate the dependence of their functionality and efficiency on the cocatalyst metal domain characteristics ranging from the single-atom catalyst (SAC) regime to metal-tipped systems. The SAC regime was achieved via the deposition of individual atomic cocatalysts on the semiconductor nanocrystals in solution. Utilizing a combination of electron microscopy, X-ray absorption spectroscopy, and X-ray photoelectron spectroscopy, we established the presence of single Au atoms on the ZnSe nanorod surface. Upon increased Au concentration, this transitions to metal tip growth. Photocatalytic hydrogen generation measurements reveal a strong dependence on the cocatalyst loading with a sharp response maximum in the SAC regime. Ultrafast dynamics studies show similar electron decay kinetics for the pristine ZnSe nanorods and the ZnSe-Au HNPs in either SAC or tipped systems. This indicates that electron transfer is not the rate-limiting step for the photocatalytic process. Combined with the structural-chemical characterization, we conclude that the enhanced photocatalytic activity is due to the higher reactivity of the single-atom sites. This holistic view establishes the significance of SAC-HNPs, setting the stage for designing efficient and sustainable heavy-metal-free photocatalyst nanoparticles for numerous applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Task-oriented machine learning surrogates for tipping points of agent-based models

We present a machine learning framework bridging manifold learning, neural networks, Gaussian processes, and Equation-Free multiscale approach, for the construction of different types of effective reduced order models from detailed agent-based simulators and the systematic multiscale numerical analysis of their emergent dynamics. The specific tasks of interest here include the detection of tipping points, and the uncertainty quantification of rare events near them. Our illustrative examples are an event-driven, stochastic financial market model describing the mimetic behavior of traders, and a compartmental stochastic epidemic model on an Erdös-Rényi network. We contrast the pros and cons of the different types of surrogate models and the effort involved in learning them. Importantly, the proposed framework reveals that, around the tipping points, the emergent dynamics of both benchmark examples can be effectively described by a one-dimensional stochastic differential equation, thus revealing the intrinsic dimensionality of the normal form of the specific type of the tipping point. This allows a significant reduction in the computational cost of the tasks of interest.

97 MATHEMATICS AND COMPUTING↗

Polarized tip-enhanced Raman spectroscopy at liquid He temperature in ultrahigh vacuum using an off-axis parabolic mirror

Tip-enhanced Raman spectroscopy (TERS) combines inelastic light scattering well below the diffraction limit down to the nanometer range and scanning probe microscopy and, possibly, spectroscopy. In this way, topographic and spectroscopic as well as single- and two-particle information may simultaneously be collected. While single molecules can now be studied successfully, bulk solids are still not meaningfully accessible. It is the purpose of the work presented here to outline approaches toward this objective. We describe a home-built, liquid helium cooled, ultrahigh vacuum TERS. The setup is based on a scanning tunneling microscope and, as an innovation, an off-axis parabolic mirror having a high numerical aperture of ~0.85 and a large working distance. The system is equipped with a fast load-lock chamber, a chamber for the in situ preparation of tips, substrates, and samples, and a TERS chamber. Base pressure and temperature in the TERS chamber were ~3 × 10 –11 mbar and 15 K, respectively. Polarization dependent tip-enhanced Raman spectra of the vibration modes of carbon nanotubes were successfully acquired at cryogenic temperature. The new features described here including very low pressure and temperature and the external access to the light polarizations, thus the selection rules, may pave the way toward the investigation of bulk and surface materials.

47 OTHER INSTRUMENTATION↗