SEARCH · Engineering Papers

Results for “GR”

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.

SourceResearch connectionFrom yearThrough year

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

At least 73 records · Page 4

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Implanted Guard Ring Edge Termination With Avalanche Capability for Vertical GaN Devices

Edge termination is the key building block in power devices to enable near-ideal, avalanche breakdown voltage (BV). Here, this work presents the design, fabrication, and physics of a GaN guard ring (GR) edge termination formed by selective-area nitrogen implantation through an epitaxial p-GaN layer. The fabrication of this termination only includes a single implantation step that does not require precise control of implant depth, rendering a large process latitude. The selective-area implantation produces p-GaN rings that are separated by the implanted, semi-insulating regions. The number and spacing of the p-type rings are found to determine the BV of the vertical GaN p-n diode. The 16-ring structure enables a BV of 1800 V, being 88% of the theoretical 1-D parallel-plane limit. Avalanche characteristics are observed in devices with a large variety of GR designs. Finally, we present a comprehensive survey on the efficiency, fabrication complexity, real estate, and avalanche capability of various edge termination techniques that have been reported in vertical GaN devices. The high efficiency (among the highest reported in avalanche-capable GaN terminations), simple and robust fabrication process, and uniform avalanche capability make this implanted GR a promising edge termination for high-voltage GaN devices.

42 ENGINEERING↗

DOE OSTI2026

Quantifying SEI Reaction Rate in the Presence and Absence of Mn 2+

In this work, a methodology utilizing potentiostatic holds is developed for measuring side-reaction rates at graphite (Gr) electrodes. The influence of Mn 2+ on parasitic reactions is evaluated in the presence of various preformed solid-electrolyte interphases (SEI). Gr SEI preformation was carried out using vinylene carbonate (VC) or lithium difluoro(oxalato)borate (LiDFOB) as an additive. In addition, a highly fluorinated electrolyte, free of traditional non-fluorinated organic carbonates, was used. Parasitic current increases were observed for all preformed Gr SEIs when Mn 2+ was present. Of the preforming electrolytes, the VC-derived SEI showed the lowest parasitic currents both with and without Mn 2+ .

Tornheim, Adam [Argonne National Laboratory (ANL),↗

DOE OSTI2020

Report on FY 2020 Testing in Support of the Development and Extension of ASME Code Rules for Grade 91

This report summarizes the FY 2020 research and activities at Oak Ridge National Laboratory in support of the ASME code rule development and code extension for Grade 91 (Gr. 91) steel. Incorporation of the Gr. 91 temperature-dependent fatigue curves in Section III Division 5 was one major task, and the associated major aspects brought up during the course of the ASME balloting process are documented in this report. Experiments and analysis continued on the development of the alternative creep-fatigue evaluation based on elastic–perfectly plastic (EPP) plus simplified model test (SMT) methodology. The focus of the study in FY 2020 was the evaluation of the hold-time effect at high cycle and low strain range region. Baseline testing in support of the evaluation of hold time effects was started and will continue in FY 2021. Major on-going experiments and activities in support of the ASME code development and extension of Gr. 91 will be completed in FY 2021.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2020

Lorentz Symmetry Group, Retardation, Intergalactic Mass Depletion and Mechanisms Leading to Galactic Rotation Curves

The general theory of relativity (GR) is symmetric under smooth coordinate transformations, also known as diffeomorphisms. The general coordinate transformation group has a linear subgroup denoted as the Lorentz group of symmetry, which is also maintained in the weak field approximation to GR. The dominant operator in the weak field equation of GR is thus the d’Alembert (wave) operator, which has a retarded potential solution. Galaxies are huge physical systems with dimensions of many tens of thousands of light years. Thus, any change at the galactic center will be noticed at the rim only tens of thousands of years later. Those retardation effects are neglected in the present day galactic modelling used to calculate rotational velocities of matter in the rims of the galaxy and surrounding gas. The significant differences between the predictions of Newtonian instantaneous action at a distance and observed velocities are usually explained by either assuming dark matter or by modifying the laws of gravity (MOND). In this paper, we will show that, by taking general relativity seriously without neglecting retardation effects, one can explain the radial velocities of galactic matter in the M33 galaxy without postulating dark matter. It should be stressed that the current approach does not require that velocities v are high; in fact, the vast majority of galactic bodies (stars, gas) are substantially subluminal—in other words, the ratio of $\frac{v}{c} \ll 1$. Typical velocities in galaxies are 100 km/s, which makes this ratio 0.001 or smaller. However, one should consider the fact that every gravitational system, even if it is made of subluminal bodies, has a retardation distance, beyond which the retardation effect cannot be neglected. Every natural system, such as stars and galaxies and even galactic clusters, exchanges mass with its environment, for example, the sun loses mass through solar wind and galaxies accrete gas from the intergalactic medium. This means that all natural gravitational systems have a finite retardation distance. The question is thus quantitative: how large is the retardation distance? For the M33 galaxy, the velocity curve indicates that the retardation effects cannot be neglected beyond a certain distance, which was calculated to be roughly 14,000 light years; similar analysis for other galaxies of different types has shown similar results. We demonstrate, using a detailed model, that this does not require a high velocity of gas or stars in or out of the galaxy and is perfectly consistent with the current observational knowledge of galactic and extra galactic material content and dynamics

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

The Aemulus Project. V. Cosmological Constraint from Small-scale Clustering of BOSS Galaxies

We analyze clustering measurements of BOSS galaxies using a simulation-based emulator of two-point statistics. We focus on the monopole and quadrupole of the redshift-space correlation function, and the projected correlation function, at scales of 0.1 ~ 60 h -1 Mpc. Although our simulations are based on wCDM with general relativity (GR), we include a scaling parameter of the halo velocity field, γ f , defined as the amplitude of the halo velocity field relative to the GR prediction. We divide the BOSS data into three redshift bins. After marginalizing over other cosmological parameters, galaxy bias parameters, and the velocity scaling parameter, we find fσ 8 (z = 0.25) = 0.413 ± 0.031, fσ 8 (z = 0.4) = 0.470 ± 0.026, and fσ 8 (z = 0.55) = 0.396 ± 0.022. Compared with Planck observations using a flat Lambda cold dark matter model, our results are lower by 1.9σ, 0.3σ, and 3.4σ, respectively. These results are consistent with other recent simulation-based results at nonlinear scales, including weak lensing measurements of BOSS LOWZ galaxies, two-point clustering of eBOSS LRGs, and an independent clustering analysis of BOSS LOWZ. All these results are generally consistent with a combination of ${\gamma }_{f}^{1/2}{\sigma }_{8}\approx 0.75$. We note, however, that the BOSS data is well fit assuming GR, i.e., γf = 1. We cannot rule out an unknown systematic error in the galaxy bias model at nonlinear scales, but near-future data and modeling will enhance our understanding of the galaxy–halo connection, and provide a strong test of new physics beyond the standard model.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Advanced electrolytes for fast-charging high-voltage lithium-ion batteries in wide-temperature range

LiNixMnyCo1-x-yO2 (NMC) cathode materials with Ni=0.8 have attracted great interest for application in high energy-density lithium (Li)-ion batteries (LIBs) because of their high specific capacities at high voltages. However, the practical application of Ni-rich NMC in LIBs under high charge voltages (e.g. 4.4 V and above) still faces big challenges due to the severe capacity fading, which is directly related to the instability of the cathode/electrolyte interface. In this work, we develop new localized high-concentration electrolytes (LHCEs) based on carbonate solvents, which are compatible with graphite (Gr) anode and have a high oxidation potential over 4.9 V vs. Li/Li+. The optimal LHCE enables the Gr||NMC811 cells with 2.8 mAh cm-2 cathode areal capacity loading to achieve an excellent cycling stability over 600 cycles with a capacity retention of 94.2 % under a charge cut-off voltage of 4.4 V at 25 ?C, good rate capabilities under fast charging or discharging up to 3C rate, and superior low-temperature discharge performance down to -30 ?C with a capacity retention of 85.6% at C/5 rate. The findings in this work shed light a very promising strategy to develop new electrolytes for practical high-energy LIBs with Ni-rich NMC cathodes.

Zhang, Xianhui↗

DOE OSTI2021

High-Voltage and High-Safety Practical Lithium Batteries with Ethylene Carbonate-Free Electrolyte

Serious safety issues are impeding the widespread adoption of high-energy lithium-ion batteries for transportation electrification and large-scale grid storage. Herein, a triple-salt ethylene carbonate (EC) free electrolyte for high-safety and high-energy pouch-type LiNi 0.8 Mn 0.1 Co 0.1 O 2 |graphite (NMC811|Gr) cells is reported. This EC-free electrolyte can effectively stabilize the NMC811 surface under high potential (up to 4.5 V), as well as generate a stable interphase to achieve a superior compatibility with the Gr anode. The electrolyte strategy enables significantly enhanced intrinsic safety (trigger temperature of thermal runaway (TR) increased by 67.0 °C), excellent electrochemical properties (4.2V, ≈100% after 200 cycles), and superior high voltage stability (4.5 V, 82.1% after 200 cycles). Furthermore, the work opens up a new avenue for developing novel electrolyte systems to build safer high-energy batteries for practical applications.

25 ENERGY STORAGE↗

DOE OSTI2022

Is Nonflammability of Electrolyte Overrated in the Overall Safety Performance of Lithium Ion Batteries? A Sobering Revelation from a Completely Nonflammable Electrolyte

It has been widely assumed that the flammability of the liquid electrolyte is one of the most influential factors that determine the safety of lithium-ion batteries (LIBs). Following this consideration, a completely nonflammable electrolyte is designed and adopted for graphite||LiFePO 4 (Gr||LFP) batteries. Contrary to the conventional understanding, the completely nonflammable electrolyte with phosphorus-containing solvents exhibits inferior safety performance in commercial Gr||LFP batteries, in comparison to the flammable conventional LiPF 6 -organocarbonate electrolyte. Mechanistic studies identify the exothermic reactions between the electrolyte (especially the salt LiFSI) and the charged electrodes as the “culprit” behind this counterintuitive phenomenon. The discovery emphasizes the importance of reducing the electrolyte reactivity when designing safe electrolytes, as well as the necessity of evaluating safety performance of electrolytes on a battery level.

25 ENERGY STORAGE↗

DOE OSTI2023

A Systematic Study on the Effects of Solvating Solvents and Additives in Localized High‐Concentration Electrolytes over Electrochemical Performance of Lithium‐Ion Batteries

Abstract Localized high‐concentration electrolytes (LHCEs) based on five different types of solvents were systematically studied and compared in lithium (Li)‐ion batteries (LIBs). The unique solvation structure of LHCEs promotes the participation of Li salt in forming solid electrolyte interphase (SEI) on graphite (Gr) anode, which enables solvents previously considered incompatible with Gr to achieve reversible lithiation/delithiation. However, the long cyclability of LIBs is still subject to the intrinsic properties of the solvent species in LHCEs. Such issue can be readily resolved by introducing a small amount of additive into LHCEs. The synergetic decompositions of Li salt, solvating solvent and additive yield effective SEIs and cathode electrolyte interphases (CEIs) in most of the studied LHCEs. This study reveals that both the structure and the composition of solvation sheaths in LHCEs have significant effect on SEI and CEI, and consequently, the cycle life of energetically dense LIBs.

Jia, Hao↗

DOE OSTI2023

A Systematic Study on the Effects of Solvating Solvents and Additives in Localized High‐Concentration Electrolytes over Electrochemical Performance of Lithium‐Ion Batteries

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Formation of misfit dislocation arrays and helium nanochannels near copper surface assisted by high-temperature graphene deposition

Misfit dislocation arrays (MDAs) at semi-coherent heterogeneous interface have been demonstrated effectiveness to trap and then outgas helium (He) for alleviating void swelling in metals, but limited by atomic-level thin film deposition that is difficult to scale-up for industrial production. In this work, we proposed an innovative strategy that could generate semi-coherent homophase interfaces in a same grain by varying surface energy density assisted by high-temperature graphene (Gr) deposition. This strategy transforms strain energy and surface energy, two originally distinctive processes into successive processes, and demonstrates experimentally and theoretically by introducing {111} copper (Cu) in a {100} Cu grain. Subsequent He implantation and electrical resistivity measurement results suggest that high-density MDAs originated at this {111}/{100} interface could form stable He nanochannels near Cu surface with Gr assistance, manifesting by ultra-low increased ratio of the electrical resistivity (i.e. ~3800% of Cu vs. ~90% of Gr/Cu) after He implantation. Finally, the present findings may provide a new strategy for efficiently managing He and achieving surface protection of advanced metals, merely by depositing a super-rigid material on metal surface to greatly reduce surface energy density.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Iron precipitation under controlled oxygen flow: Mineralogical implications for BIF precursors in the Archean ocean

Banded iron formation (BIF) deposition in the Archean ocean is thought to have been initiated by the oxidation of dissolved iron into ferric primary precursor phases that descended through the water column and were deposited on the seafloor. Effective interpretation of the trace element and isotopic composition of BIFs in the geologic record requires an understanding of the identity and longevity of those precursor phases. Temporal and spatial variation in oxidant concentration and ocean chemistry may have driven precursor mineralogy. Furthermore, precursor phases may undergo transitions during descent and burial. This experimental study follows the evolution of iron mineralogy, speciation, and redox state during the precipitation of iron under variable oxygen fluxes and in fluids containing different iron-complexing anions (chloride, sulfate, and phosphate). Additionally, suspensions collected after incomplete oxidation were anoxically aged to simulate changes to precursor mineralogy during descent below the seawater redoxcline. Results from X-ray diffraction, sequential dissolution, colorimetric determination of Fe redox state, and Fe K-edge X-ray absorption fine structure spectroscopy showed that under all experimental conditions, intermediate precipitates collected before complete iron uptake contained mineralized ferrous iron. Purely ferric mineral assemblages were not observed until iron was removed from solution. In low-oxygen experiments, intermediate precipitates contained phases with stoichiometric Fe 2+ , including magnetite, vivianite, and green rust (GR). Chloride green rust (GR1) had more ferric iron than sulfate green rust (GR2) and more readily transitioned to magnetite via disproportionation. GR2 was stable over a broader range of iron uptake; magnetite appeared mainly as an additional oxidation product in sulfate solution. In high oxygen experiments, mineralized ferrous iron occurred in amorphous phases or as a non-stoichiometric component in ferric oxides; final ferric assemblages were less crystalline than in low-oxygen equivalents. Low concentrations of phosphate increased the total iron oxidation rate, but also increased the ferrous content of intermediate precipitates. The incorporation of phosphate stabilized GR2 and facilitated GR2 precipitation over a larger range of iron uptake. In higher concentrations of phosphate, vivianite and poorly crystalline ferric hydroxides formed in place of GR. Here, these findings suggest that over a range of possible ocean chemistries, mixed-valence phases may have been short lived but relevant precursors to BIF. Additionally, anionic chemistry and oxidant concentration are shown to influence the crystallinity and chemical resistivity of final ferric assemblages, affecting their reactivity during later anoxic burial.

58 GEOSCIENCES↗

DOE OSTI2021

A first principles framework to predict the transient performance of latent heat thermal energy storage

Thermal energy storage (TES) is increasingly recognized as an essential component of efficient Combined Heat and Power (CHP), Concentrated Solar Power (CSP), Heating Ventilation and Air Conditioning (HVAC), and refrigeration as it reduces peak demand while helping to manage intermittent availability of energy (e.g., from solar or wind). Latent Heat Thermal Energy Storage (LHTES) is a viable option because of its high energy storage density. Parametric analysis of LHTES in terms of dimensionless numbers is highly desired as a tool to model LHTES systems. One approach is to develop a model equation so as to minimize the error between the model and data obtained from experiments or simulations. While this approach can produce an accurate correlation applicable within the range of data used for its creation, it does not provide physical understanding of the rate-limiting process controlling the transient behavior of the device. In this paper we present an alternative approach whereby the potential rate-limiting processes are identified from first principles and then the key process is determined as a function of time as a LHTES device is charged. For example, in a simple geometry, the melt-fraction can be expected to vary linearly in time if the heat transfer rate is limited by natural convection of the phase changing material and we show it scales with the PCM Grashof number as $Gr^1_p$ and PCM Prandtl number as $Pr_p^{(1/3)}$. On the other hand, if surface area of solid PCM limits the heat transfer rate, the melt fraction increases asymptotically to reach full melting. The existence of these linear and asymptotic regions and the $Gr^1_pP r^{1/3}_p$ shape of the melt fraction curve is verified using our database of 64 simulations. Of practical importance in designing LHTES devices is the melt fraction at which the heat transfer rate ceases to be limited by convection, after which the heat storage rate deteriorates. For our geometry, this is found to be about 90%. This test case of our methodology shows the value of our approach, that predicting heat storage rate based on the rate-limiting physical phenomenon as a function of time is an effective approach to modeling LHTES devices.

25 ENERGY STORAGE↗

DOE OSTI2026

Direct regeneration of degraded LiFePO4 cathodes via a separator-enabled prelithiation strategy

A persistent challenge in lithium-ion batteries is the loss of active lithium due to the solid electrolyte interphase (SEI) formation and associated side reactions. While prelithiation employing lithium replenishment separator (LRS) has been proven effective in compensating for lithium loss, previous studies have largely been accompanied by gas evolution or solid residue formation during the prelithiation process. To surmount this challenge, we present a LRS based on 4-fluoro-1,2-dihydroxybenzene lithium salt (LiDF), capable of mitigating lithium loss while producing decomposition products that integrate directly into the electrolyte as functional additives which can assist with the stability of the SEI, free from gas or solid formation, thus establishing a sustainable and environmentally benign strategy for lithium compensation. Incorporation of the LRS enables the pristine LiFePO4||graphite (Gr) full cell to achieve 10.8% higher capacity than the cell with a polypropylene separator (PPS) after 200 cycles at 0.5C. Remarkably, the degraded LiFePO4 (D-LFP)||Gr full cell with the LRS exhibits a 135.8% capacity improvement over the PPS-based cell after 500 cycles. These findings establish the LRS as a powerful approach for both boosting high-performance lithium-ion batteries and recovering the capacity of degraded batteries.

Tao, Fujun↗

DOE OSTI2020

3D modelling of MHD mixed convection flow in a vertical duct with transverse magnetic field and volumetric or surface heating

Understanding phenomena associated with the multiple effects/interactions of the fusion nuclear environment on liquid metal flow is required to correctly design liquid metal (LM) blankets for fusion facilities. These effects are investigated in the present work by numerically simulating 3D LM MHD flow. The simulated geometry consists of a straight, vertical duct which runs perpendicular to a strong, fringing applied magnetic field. There is also a region of applied heating as the primary goal is to explore buoyancy effects in MHD duct flows. Results are presented for both buoyancy assisted (upwards) and buoyancy opposed (downwards) flows in conducting and insulating ducts for a range of Hartmann numbers (Ha) up to 100, Reynolds numbers (Re) from 10 3 to 10 4 and Grashof (Gr) numbers from 10 7 to 10 8 . While increasing Gr or decreasing Re increases buoyancy effects, increasing Ha was shown to increase maximum temperature through turbulence reduction. The extent to which the MHD mixed convection flows are quasi-2D is analyzed and buoyant effects, in competition with electromagnetic forces, are shown to bring about 3D flow features not seen in purely MHD flows. Volumetric nuclear heating with steep gradients is applied to the vertical MHD flows for comparison to flows with surface heating only. Finally, surface heating generates stronger buoyancy effects than volumetric heating of the same total power; however, many of the same phenomena occur. Therefore, surface heating, the only option for lab experiments, can provide indication of the effects of volumetric heating in MHD flows.

42 ENGINEERING↗

DOE OSTI2023

Multi-modal characterization methods of solid-electrolyte interphase in silicon-graphite composite electrodes

Composite silicon-graphite (Si-Gr) anodes can improve battery energy density, due to Si's high gravimetric capacity, while mitigating mechanical degradation of the anode and solid-electrolyte interphase (SEI) caused by Si volumetric expansion. Optimizing these anodes is challenging, in part due to difficulty characterizing the SEI structure and composition. In this work, we present multi-modal characterization of the SEI on composite Si-Gr anodes to relate SEI chemical composition and structure to functional properties. Discrepancies in elemental concentrations from X-ray photoelectron spectroscopy, Auger electron spectroscopy, and energy-dispersive X-ray spectroscopy (EDS) are attributed to varying information depth and lateral resolution of the individual probes. However, by combining quantitative composition information with spatially resolved element mapping from scanning transmission electron microscopy, EDS, and electron energy loss spectroscopy, a holistic picture of the SEI emerges. We observe the bilayer SEI structure and a direct correlation between elemental Li and F, suggesting that most Li in the SEI exists as lithium fluoride (LiF). Further, LiF concentration is directly proportional to the maximum SEI resistivity, as determined by scanning spreading resistance microscopy. Lastly, there is an inverse relationship between lithium carbonate and LiF concentration in the SEI, providing insight into the detailed chemistry of SEI formation and evolution.

25 ENERGY STORAGE↗

DOE OSTI2020

A Revisited Mechanism of the Graphite-to-Diamond Transition at High Temperature

The graphite-diamond transition, under high-pressure and high-temperature conditions, has been a central subject in physical science. However, its atomistic mechanism remains under debate. Employing large-scale molecular dynamics (MD) simulations, we report a mechanism whereby the diamond nuclei in the graphite matrix propagate in two preferred directions, among which the graphite [120] is about 2.5 times faster than [001]. Consequently, cubic diamond (CD) is the kinetically favorable product, while only a few hexagonal diamonds (HDs) can exist as the twins of CDs. The coherent interface of t-(100)gr//(11-1)cd + [010]gr//[1-10]cd observed in MD simulation was confirmed by our high-resolution transmission electron microscopy experiment. This proposed mechanism not only clarifies the role of HD in graphite-diamond transition but also yields atomistic insight into strengthening synthetic diamond via microstructure engineering.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Electrolyte design for Li metal-free Li batteries

Li metal, with the lowest thermodynamically achievable negative electrochemical potential and the highest specific capacity (3860 mAh g -1 ), is the ultimate anode choice for Li batteries. However, the highest reported Li plating/stripping Coulombic efficiency (CE) of 99.5% after extensive efforts is still too low for the Li metal-free (all the Li metal in cycling comes from cathode, without anode pre-lithiation) Li metal batteries. The low CE is attributed to both non-uniform Li plating/stripping on the lithiophobic Cu current collector and Li dendrite growth through lithiophilic organic–inorganic solid electrolyte interphase (SEI) formed in carbonate electrolytes. Here, we use a lithiophilic Bismuth graphite blend (Bi–Gr) substrate to replace lithiophobic Cu current collector to seed a uniform Li nucleation, and form a lithiophobic LiF-rich SEI rather than lithiophilic organic-rich SEI to suppress Li dendrite growth. Molecular dynamics simulations reveal the preferential reduction of anions in 2.0 M LiPF 6 in tetrahydrofuran/2-methyl tetrahydrofuran (2.0 M LiPF 6 –mixTHF) electrolyte to generate LiF-rich SEI on plated Li. Bi–Gr substrate and 2.0 M LiPF 6 –mixTHF electrolyte enable the Li anodes to achieve a record high CE of 99.83% at a high capacity of 1.0 mAh cm -2 and current of 0.5 mA cm -2 . The Bi particles serve as dispersed nucleation centers that promote uniform Li deposition with strong adhesion to the substrate to avoid dead Li, while the lithiophobic LiF-rich SEI promotes lateral Li growth and suppresses the vertical Li dendrite growth even at a high current density of 3.0 mA cm -2 and high areal capacities of 3.0 mAh cm -2 . The regulation of Li nucleation and growth enables the Li metal-free LiFePO 4 full cells to achieve 100 cycles at a practical areal capacity of >2.0 mAh cm -2 . This article highlights the benefits of simultaneous substrate design to improve Li nucleation and electrolyte design to promote lithiophobic SEI growth, enabling a promising and practical route Li metal-free Li metal batteries.

36 MATERIALS SCIENCE↗