Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Energy Simulation”

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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Molecular beam epitaxy growth of high quality p-doped SnS van der Waals epitaxy on a graphene buffer layer

We report on the systematic investigation of optoelectronic properties of tin (IV) sulfide (SnS) van der Waals epitaxies (vdWEs) grown by molecular beam epitaxy (MBE) technique. Energy band simulation using commercial CASTEP code indicates that SnS has an indirect bandgap of size 0.982 eV. Furthermore, our simulation shows that elemental Cu can be used as a p-type dopant for the material. Growth of high quality SnS thin films is accomplished by MBE technique using graphene as the buffer layer. We observed significant reduction in the rocking curve FWHM over the existing published values. Crystallite size in the range of 2-3 {mu}m is observed which is also significantly better than the existing results. Measurement of the absorption coefficient, {alpha}, is performed using a Hitachi U-4100 Spectrophotometer system which demonstrate large values of {alpha} of the order of 10{sup 4} cm{sup -1}. Sharp cutoff in the values of {alpha}, as a function of energy, is observed for the films grown using a graphene buffer layer indicating low concentration of localized states in the bandgap. Cu-doping is achieved by co-evaporation technique. It is demonstrated that the hole concentration of the films can be controlled between 10{sup 16} cm{sup -3} and 5 x 10{sup 17}cm{sup -3} by varying the temperature of the Cu K-cell. Hole mobility as high as 81 cm{sup 2}V{sup -1}s{sup -1} is observed for SnS films on graphene/GaAs(100) substrates. The improvements in the physical properties of the films are attributed to the unique layered structure and chemically saturated bonds at the surface for both SnS and the graphene buffer layer. Consequently, the interaction between the SnS thin films and the graphene buffer layer is dominated by van der Waals force and structural defects at the interface, such as dangling bonds or dislocations, are substantially reduced.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Basin-Size Mapping: Prediction of Metastable Polymorph Synthesizability Across TaC–TaN Alloys

The sizes of the basins of attraction on the potential energy surface are helpful indicators in determining the experimental synthesizability of metastable phases. In principle, these basins can be controlled with changes in thermodynamic conditions such as composition, pressure, and surface energy. Herein, we use random structure sampling to computationally study how alloying smoothly perturbs basin of attraction sizes. The TaC 1-x N x pseudobinary is an ideal test system given the structural and polymorphic contrast of its parent compounds and their technological relevance as epitaxial substrates for Al 1-x Ga x N. While we find limited thermodynamic stability across all computationally observed phases, random structure sampling shows a significant composition region where the rocksalt basin dominates. As such, we predict the potential for the nonequilibrium synthesis of metastable rocksalt TaC 1-x N x alloys as substrates for Al 1-x Ga x N. At higher nitrogen concentrations, other low-energy metastable polymorphs emerge that continue to retain the hexagonal close packing suitable for III-N growth. Confidence in these trends was established through uncertainty quantification of the basin sizes and energy distributions; such analysis utilized the Beta and Dirichlet distributions. In conclusion, we also find (a) polymorph basin sizes can be rationalized in terms of energetic preferences for different coordination environments; and (b) basin sizes universally shrink with increasing nitrogen content, making the system more prone to amorphous growth.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Improving energy efficiency while reducing anthropogenic heat from buildings: how retrofits influence the building stock and urban microclimate in Los Angeles

Anthropogenic heat (AH) from buildings contributes to urban overheating, especially during heat waves, yet building retrofit studies usually evaluate energy savings without assessing impacts on AH. This study quantifies how common building retrofit measures affect both building energy use and AH emissions across the City of Los Angeles. Using a bottom-up urban building energy modeling framework coupled with high-resolution local weather from the Weather Research and Forecasting model with Building Effect Parameterization (WRF-BEP), we evaluate eleven retrofit measures and two multi-measure retrofit packages. HVAC and LED lighting retrofits provide the largest city-wide annual site energy savings, while roof coating is most effective for reducing AH. A package optimized for energy savings reduces summer site energy use by about 32% (2.3 TWh), while a package incorporating AH-focused measures reduces the total AH by over 50% (137 PJ) with minimal difference in energy savings. The AH-aware package produces substantially greater urban cooling, reducing mean near-surface air temperature by up to 0.62 ℃ and peak temperature by up to 3.79 ℃. These results show that retrofit strategies selected only for energy savings may overlook major opportunities for urban heat mitigation. The study provides a framework for integrating AH into building retrofit planning and urban heat resilience policy.

Anthropogenic heat↗
DOE OSTI2016

Quadratic formula for determining the drop size in pressure-atomized sprays with and without swirl

We use a theoretical framework based on the integral form of the conservation equations, along with a heuristic model of the viscous dissipation, to find a closed-form solution to the liquid atomization problem. The energy balance for the spray renders to a quadratic formula for the drop size as a function, primarily of the liquid velocity. The Sauter mean diameter found using the quadratic formula shows good agreements and physical trends, when compared with experimental observations. This approach is shown to be applicable toward specifying initial drop size in computational fluid dynamics of spray flows.

42 ENGINEERING↗
DOE OSTI2012

DARK MATTER AS AN ACTIVE GRAVITATIONAL AGENT IN CLOUD COMPLEXES

We study the effect that the dark matter background (DMB) has on the gravitational energy content and, in general, on the star formation efficiency (SFE) of a molecular cloud (MC). We first analyze the effect that a dark matter halo, described by the Navarro-Frenk-White density profile, has on the energy budget of a spherical, homogeneous cloud located at different distances from the halo center. We found that MCs located in the innermost regions of a massive galaxy can feel a contraction force greater than their self-gravity due to the incorporation of the potential of the galaxy's dark matter halo. We also calculated analytically the gravitational perturbation that an MC produces over a uniform DMB (uniform at the scales of an MC) and how this perturbation will affect the evolution of the MC itself. The study shows that the star formation in an MC will be considerably enhanced if the cloud is located in a dense and low velocity dark matter environment. We confirm our results by measuring the SFE in numerical simulations of the formation and evolution of MCs within different DMBs. Our study indicates that there are situations where the dark matter's gravitational contribution to the evolution of the MCs should not be neglected.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

Cone-beam breast computed tomography with a displaced flat panel detector array

Purpose: In cone-beam computed tomography (CBCT), and in particular in cone-beam breast computed tomography (CBBCT), an important issue is the reduction of the image artifacts produced by photon scatter and the reduction of patient dose. In this work, the authors propose to apply the detector displacement technique (also known as asymmetric detector or ''extended view'' geometry) to approach this goal. Potentially, this type of geometry, and the accompanying use of a beam collimator to mask the unirradiated half-object in each projection, permits some reduction of radiation dose with respect to conventional CBBCT and a sizeable reduction of the overall amount of scatter in the object, for a fixed contrast-to-noise ratio (CNR). Methods: The authors consider a scan configuration in which the projection data are acquired from an asymmetrically positioned detector that covers only one half of the scan field of view. Monte Carlo simulations and measurements, with their CBBCT laboratory scanner, were performed using PMMA phantoms of cylindrical (70-mm diameter) and hemiellipsoidal (140-mm diameter) shape simulating the average pendant breast, at 80 kVp. Image quality was evaluated in terms of contrast, noise, CNR, contrast-to-noise ratio per unit of dose (CNRD), and spatial resolution as width of line spread function for high contrast details. Results: Reconstructed images with the asymmetric detector technique deviate less than 1% from reconstruction with a conventional symmetric detector (detector view) and indicate a reduction of the cupping artifact in CT slices. The maximum scatter-to-primary ratio at the center of the phantom decreases by about 50% for both small and large diameter phantoms (e.g., from 0.75 in detector view to 0.40 in extended view geometry at the central axis of the 140-mm diameter PMMA phantom). Less cupping produces an increase of the CT number accuracy and an improved image detail contrast, but the associated increase of noise observed may produce a decrease of detail CNR. By simulating the energy deposited inside the phantoms, the authors evaluated a maximum 50% reduction of the absorbed dose at the expense of a decrease of CNR, for the half beam irradiation of the object performed with the displaced detector technique with respect to full beam irradiation. The decrease in CNR, and in absorbed dose as well, translates into a detail CNRD showing values comparable to or higher than the ones obtained for a conventional symmetric detector technique, attributed to the effect of decreased scatter in particular at the axis of the irradiated object. An estimate is provided (about 12%) for the average dose reduction possible in CBBCT at constant CNR for the average uncompressed breast (14 cm diameter, 50% glandularity), in case of minimum image overlapping in extended view. Conclusions: Simulations and experiments show that CBCT reconstructions with the displaced detector technique and with a half beam collimator are less affected by scatter artifacts, which could lead to some decrease of the radiation dose to the irradiated object with respect to a conventional reconstruction. This dose reduction is associated with increase of noise, decrease of CNR, but equal or improved CNRD values. The use of a small area detector would allow also to reduce the apparatus cost and to improve the data transfer speed with a corresponding increment of frame rate.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2024

Theoretical Investigation of the Hydrogenation of Cyclohexene Catalyzed by Supported Single-Atom Sites on Redox Noninnocent LiMn 2 O 4 and Li 2 Mn 2 O 4 Surfaces

Here, the tuning of catalyst activity via stereoelectronic modulation of the active-site structure remains a grand challenge in heterogeneous catalysis. In homogeneous catalysis, the redox noninnocent ligands can be introduced to organometallic fragments to donate electrons to the metal center and fine-tune the catalytic activity. Analogously, lithium-ion battery materials, such as lithium manganese oxide (LMO), lithium titanium oxides (LTO), etc., can serve as redox noninnocent catalyst support to modulate the electronic structures of the active site via lithiation, hence tuning the catalytic activity of supported active sites. Experimentally, the Ni single-atom site was supported on LiMn 2 O 4 via oxidative grafting and exhibited no catalytic activity toward the hydrogenation of cyclohexene. After introducing additional Li into the catalyst support forming Li 2 Mn 2 O 4 , the Ni single-atom site becomes active, with the catalytic rates increasing as a function of the lithiation for Li/Mn ratios >0.9. In this paper, density functional theory (DFT) calculations are performed to study the Ni site structure via X-ray absorption near edge structure (XANES) simulations and investigate the electronic properties of Ni single-atom site before and after the addition of intercalated lithium in the LMO spinel structure. Furthermore, the study of the reaction mechanism is also carried out to understand the thermodynamically and kinetically favored pathways. XANES simulation suggests that the Ni single-atom site is likely to stay in the Li channel of the spinel support structure and form an octahedral structure. After Li intercalation, the Ni site becomes less positively charged, indicating the partial reduction of the Ni site. The simulated reaction energy profile over the LiMn 2 O 4 support exhibits high-energy barriers (1.07 eV) for the hydrogenation of cyclohexene; however, the Li 2 Mn 2 O 4 support is able to better stabilize low-coordinated ion sites and improve ion mobility, leading to lower overall energy barriers (0.64 eV). The reduced and low-coordinated ion site, thus, can better stabilize the reaction intermediates and promote hydrogenation reaction. Similarly, other transition metal ions (Fe, Co, and Cu) are also considered over the LiMn 2 O 4 and Li 2 Mn 2 O 4 catalyst supports for hydrogenation reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2016

Tsunami Generation from Asteroid Airburst and Ocean Impact and Van Dorn Effect

Airburst - In the simulations explored energy from the airburst couples very weakly with the water making tsunami dangerous over a shorter distance than the blast for asteroid sizes up to the maximum expected size that will still airburst (approx.250MT). Future areas of investigation: - Low entry angle airbursts create more cylindrical blasts and might couple more efficiently - Bursts very close to the ground will increase coupling - Inclusion of thermosphere (>80km altitude) may show some plume collapse effects over a large area although with much less pressure center dot Ocean Impact - Asteroid creates large cavity in ocean. Cavity backfills creating central jet. Oscillation between the cavity and jet sends out tsunami wave packet. - For deep ocean impact waves are deep water waves (Phase speed = 2x Group speed) - If the tsunami propagation and inundation calculations are correct for the small (<250MT) asteroids in these simulations where they impact deep ocean basins, the resulting tsunami is not a significant hazard unless particularly close to vulnerable communities. Future work: - Shallow ocean impact. - Effect of continental shelf and beach profiles - Tsunami vs. blast damage radii for impacts close to populated areas - Larger asteroids below presumed threshold of global effects (Ø200 - 800m).

Tsunami↗
DOE OSTI2014

Noble gas excimer scintillation following neutron capture in boron thin films

Far-ultraviolet scintillation signals have been measured in heavy noble gases (argon, krypton, xenon) following boron-neutron capture ({sup 10}B(n,α){sup 7}Li) in {sup 10}B thin films. The observed scintillation yields are comparable to the yields from some liquid and solid neutron scintillators. At noble gas pressures of 107 kPa, the number of photons produced per neutron absorbed following irradiation of a 1200 nm thick {sup 10}B film was 14 000 for xenon, 11 000 for krypton, and 6000 for argon. The absolute scintillation yields from the experimental configuration were calculated using data from (1) experimental irradiations, (2) thin-film characterizations, (3) photomultiplier tube calibrations, and (4) photon collection modeling. Both the boron films and the photomultiplier tube were characterized at the National Institute of Standards and Technology. Monte Carlo modeling of the reaction cell provided estimates of the photon collection efficiency and the transport behavior of {sup 10}B(n,α){sup 7}Li reaction products escaping the thin films. Scintillation yields increased with gas pressure due to increased ionization and excitation densities of the gases from the {sup 10}B(n,α){sup 7}Li reaction products, increased frequency of three-body, excimer-forming collisions, and reduced photon emission volumes (i.e., larger solid angle) at higher pressures. Yields decreased for thicker {sup 10}B thin films due to higher average energy loss of the {sup 10}B(n,α){sup 7}Li reaction products escaping the films. The relative standard uncertainties in the measurements were determined to lie between 14% and 16%. The observed scintillation signal demonstrates that noble gas excimer scintillation is promising for use in practical neutron detectors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

SU-E-T-31: A Fast Finite Size Pencil Beam (FSPB) Convolution Algorithm for a New Co-60 Arc Therapy Machine

Purpose: Present a fast Finite Size Pencil Beam (FSPB) convolution algorithm for a new Co-60 arc therapy machine. The FSPB algorithm accounts for (i) strong angular divergence (short SAD), (ii) heterogeneity effect for primary attenuation, and (iii) source energy spectrum. Methods: The FSPB algorithm is based on a 0.5×0.5-cm2 dose kernel calculated using the GEPTS (Gamma Electron and Positron Transport System) Monte Carlo code. The dose kernel is tabulated using a thin XYZ mesh (0.1 mm steps in lateral directions) for radius less than 1 cm and using an RZ mesh (with varying steps) for larger radial distance. To account for SSD effect, 11 dose kernels with SSDs varying between 30 cm to 80 cm are calculated. Maynord factor and “lateral stretching” are applied to account for differences between closest and actual SSD. Appropriate rotations and second order interpolation are used to calculate the dose from a given beamlet to a point. Results: Accuracy: Dose distributions in water with 80 cm SSD are calculated using the new FSPB convolution algorithm and full Monte Carlo simulation (gold standard). Figs 1–4 show excellent agreements between FSPB and Monte Carlo calculations for different field sizes and at different depths. The dose distribution for a prostate case is calculated using FSPB (Fig.5). Sixty conformal beams with rectum blocking are assumed. Figs 6–8 show the comparison with Monte Carlo simulation based on the same beam apertures. The excellent agreement demonstrates the accuracy of the new algorithm in handling SSD variation, oblique incidence, and scatter contribution.Speed: The FSPB convolution algorithm calculates 28 million dose points per second using a single 2.2-GHz CPU. The present algorithm is seven times faster than a similar algorithm from Gu et al. (Phys. Med. Biol. 54, 2009, 6287–6297). Conclusion: A fast and accurate FSPB convolution algorithm was developed and benchmarked.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Cavitation inception by the backscattering of pressure waves from a bubble interface

The secondary cavitation that occurs by the backscattering of focused ultrasound from a primary cavitation bubble caused by the negative pressure part of the ultrasound (Maxwell, et al., 2011) might be useful for the energy exchange due to bubble oscillations in High Intensity Focused Ultrasound (HIFU). The present study is concerned with the cavitation inception by the backscattering of ultrasound from a bubble. In the present experiment, a laser-induced bubble which is generated by a pulsed focused laser beam with high intensity is utilized as a primary cavitation bubble. After generating the bubble, focused ultrasound is emitted to the bubble. The acoustic field and the bubble motion are observed with a high-speed video camera. It is confirmed that the secondary cavitation bubble clouds are generated by the backscattering from the laser-induced bubble. The growth of cavitation bubble clouds is analyzed with the image processing method. The experimental results show that the height and width of the bubble clouds grow in stepwise during their evolution. The direct numerical simulations are also conducted for the backscattering of incident pressure waves from a bubble in order to evaluate a pressure field near the bubble. It is shown that the ratio of a bubble collapse time t{sub 0} to a characteristic time of wave propagation t{sub S}, η = t{sub 0}/t{sub s}, is an important determinant for generating negative pressure region by backscattering. The minimum pressure location by the backscattering in simulations is in good agreement with the experiment.

42 ENGINEERING↗
DOE OSTI2018

Design and Simulation of a Novel Mechanical Power Take-Off for a Two-Body Wave Energy Point Absorber

In this paper, a two-body self-react wave energy converter with a novel mechanical Power Take-off (PTO) is introduced. The PTO rectifies the mechanical motion and regulates the flow with a mechanism called Mechanical Motion Rectifier (MMR), which converts the reciprocating motion of the ocean wave into unidirectional rotation of the generator. The overall system is analyzed in both time and frequency domain. In time domain, the piecewise non-linear dynamic model of the MMR PTO is derived, and parameters that could significantly influence the MMR property is extracted. By building the model into WEC-Sim, a time domain wave energy converter (WEC) simulation tool, to simulate and evaluate the performance of the PTO. In addition, the system is modelled as a two-body vibration system for frequency domain analysis in order to further investigate and optimize the proposed wave energy converter. The tunable parameters within the system, including the equivalent mass, the equivalent damping coefficient, and the PTO stiffness, are discussed based on the criteria of maximization of the total output power. To verify the theoretical analysis, a bench test prototype is developed and tested on a hydraulic test machine. The experimental results in line with the derived model and can be used for reasonable estimation on the output power of the proposed system in real ocean conditions.

16 TIDAL AND WAVE POWER↗
DOE OSTI2016

SU-F-T-122: 4Dand 5D Proton Dose Evaluation with Monte Carlo

Purpose: We evaluated uncertainties in therapeutic proton doses of a lung treatment, taking into account intra-fractional geometry changes, such as breathing, and inter-fractional changes, such as tumor shrinkage and weight loss. Methods: A Monte Carlo study was performed using four dimensional CT image sets (4DCTs) and weekly repeat imaging (5DCTs) to compute fixed RBE (1.1) and variable RBE weighted dose in an actual lung treatment geometry. The MC2 Monte Carlo system was employed to simulate proton energy deposition and LET distributions according to a thoracic cancer treatment plan developed with a 3D-CT in a commercial treatment planning system, as well as in each of the phases of 4DCT sets which were recorded weekly throughout the course of the treatment. A cumulative dose distribution in relevant structures was computed and compared to the predictions of the treatment planning system. Results: Using the Monte Carlo method, dose deposition estimates with the lowest possible uncertainties were produced. Comparison with treatment planning predictions indicates that significant uncertainties may be associated with therapeutic lung dose prediction from treatment planning systems, depending on the magnitude of inter- and intra-fractional geometry changes. Conclusion: As this is just a case study, a more systematic investigation accounting for a cohort of patients is warranted; however, this is less practical because Monte Carlo simulations of such cases require enormous computational resources. Hence our study and any future case studies may serve as validation/benchmarking data for faster dose prediction engines, such as the track repeating algorithm, FDC.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Energy Emissions Accounting Methods Can Determine Whether Direct Air Capture with Storage Achieves Net Removal

The voluntary carbon market within the United States has expanded rapidly in recent years and enabled private companies and other organizations to provide revenue streams to carbon dioxide removal (CDR) technologies. For a CDR technology to participate in the voluntary carbon market (VCM), the emissions associated with constructing and operating the technology must be less than the CO 2 captured from the atmosphere. Assessing the extent to which this is true for direct air capture with storage (DACS), a relatively energy-intensive CDR technology, strongly depends on the accounting method used to assess the emissions intensity of purchased energy. We simulate the hourly weather-dependent operation of sorbent- and solvent-based DACS in California, Louisiana, Texas, and Wyoming, representing a wide range of local weather and electric and natural gas grid compositions. In all cases, the single most important emissions accounting decision is the method used to estimate the emissions intensity of purchased grid electricity, which varies the calculated net removal by −1049% to +108%. All other factors influencing net removal introduce a variation of at most ±14%. No electricity emissions accounting method is universally conservative across all scenarios, and none is objectively more accurate. High-spatiotemporal-resolution, high-quality, publicly available data sets and models for electricity emissions accounting do not currently exist and are urgently needed to enable standardization of emissions accounting methods to more accurately determine the true emissions impacts of DACS and other energy-intensive facilities.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

On the Prospects of Gamma-Ray Burst Detection in the TeV Band

A gamma-ray burst (GRB) jet running into an external medium is expected to generate luminous GeV–TeV emission lasting from minutes to several hours. The high-energy emission results from inverse Compton upscattering of prompt and afterglow photons by shock-heated thermal plasma. At its peak the high-energy radiation carries a significant fraction of the power dissipated at the forward shock. We discuss in detail the expected TeV luminosity, using a robust “minimal” emission model. Then, using the statistical properties of the GRB population (luminosity function, redshift distribution, afterglow energy), we simulate the expected detection rates of GRBs by current and upcoming atmospheric Cherenkov instruments. We find that GRBs exploding into a low-density interstellar medium must produce TeV emission that would have already been detected by the currently operating Cherenkov telescopes. The absence of detections is consistent with explosions into a dense wind of the GRB progenitor. If, as suggested by the recent analysis of Fermi LAT data, the typical environment of long GRBs is a Wolf–Rayet progenitor wind with the density parameter A∼10{sup 11} g cm{sup −1}, then 10%–20% of the bursts that trigger the space-borne detectors should also be detectable by the upcoming Cherenkov Telescope Array (CTA) under favorable observing conditions. Since absorption by the extragalactic background light limits the detectability above 0.1 TeV for all but the most nearby bursts (z≲1), the reduced energy threshold of CTA is the key improvement over current instruments, which should increase the number of detectable bursts by at least a factor of 3 compared with currently operating facilities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Cold-Starting All-Solid-State Batteries from Room Temperature by Thermally Modulated Current Collector in Sub-Minute

All-solid-state batteries (ASSBs) show great potential as high-energy and high-power energy storage devices but their attainable energy/power density at room temperature is severely reduced because of the sluggish kinetics of lithium-ion transport. Here we first reported a thermally modulated current collector (TMCC), which can rapidly cold-start ASSBs from room temperature to operating temperatures (70–90 °C) in less than one minute, and simultaneously enhance the transient peak power density by 15-fold compared to one without heating. This TMCC is prepared by integrating a uniform, ultrathin (~200 nm) nickel layer as a thermal modulator within an ultralight polymer-based current collector. By isolating the thermal modulator from the ion/electron pathway of ASSBs, it can provide fast, stable heat control yet does not interfere with regular battery operation. Moreover, this ultrathin (13.2 μm) TMCC effectively shortens the heat transfer pathway, minimizes heat losses, and mitigates the formation of local hot spots. The simulated heating energy consumption can be as low as ~3.94% of total battery energy. This TMCC design with good tunability opens new frontiers towards smart energy storage devices in the future from the current collector perspective.

25 ENERGY STORAGE↗
DOE OSTI2023

Degradation and Modeling of Large-Format Commercial Lithium-Ion Cells as a Function of Chemistry, Design, and Aging Conditions

Demand for large-format (>10 Ah) lithium-ion batteries has increased substantially in recent years, due to the growth of both electric vehicle and stationary energy storage markets. The economics of these applications is sensitive to the lifetime of the batteries, and end-of-life can either be due to energy or power limitations. Despite this, there is little information from cell manufacturers on the sensitivity of cell degradation to environmental conditions or battery use. This work reports accelerated aging test data from four commercial large-format lithium-ion batteries from three manufacturers, with varying design (thickness, casings, ...), chemistry (lithium-iron-phosphate (LFP) or lithium-nickel-manganese-cobalt-oxide positive electrodes (NMC), with graphite (Gr) negative electrodes), and capacity (50 to 250 Amp hours). The tested LFP|Gr cell is found to be relatively insensitive to cycling conditions like temperature or voltage window, while NMC|Gr cells have varying sensitivity. Degradation trends are further investigated by training predictive models: simple polynomial trend lines, a semi-empirical reduced-order model, and an empirical reduced-order model identified using machine-learning based on symbolic regression. Calendar and cycle life are simulated over a variety of conditions to directly compare the various batteries. Cell size and thickness are found to substantially impact sensitivity to temperature during cycle aging, while electrode chemistry impacts depth-of-discharge sensitivity. Real-world battery lifetime is evaluated by simulating residential energy storage and commercial frequency containment reserve systems in several U.S. climate regions. Predicted lifetime across cell types varies from 7 years to 20+ years, though all cells are predicted to have at least 10 year life in certain conditions.

battery lifetime↗
DOE OSTI2014

Probing deeper by hard x-ray photoelectron spectroscopy

We report an hard x-ray photoelectron spectroscopy method combining high excitation energy (15 keV) and improved modelling of the core-level energy loss features. It provides depth distribution of deeply buried layers with very high sensitivity. We show that a conventional approach relying on intensities of the core-level peaks is unreliable due to intense plasmon losses. We reliably determine the depth distribution of 1 ML La in a high-κ/metal gate stack capped with 50 nm a-Si. The method extends the sensitivity of photoelectron spectroscopy to depths beyond 50 nm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗