Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “new construction”

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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Precise Pore Engineering of fcu–Type Y–MOFs for One–Step C 2 H 4 Purification from Ternary C 2 H 6 /C 2 H 4 /C 2 H 2 Mixtures

The purification of C 2 H 4 from C 2 H 6 /C 2 H 4 /C 2 H 2 mixtures is of great significance in the chemical industry for C 2 H 4 production but remains a daunting task. Guided by powerful reticular chemistry principles, herein a systematic study is carried out to engineer pore dimensions and pore functionality of fcu-type Y-based metal–organic frameworks (Y-MOFs) through the construction of a series of eight new structures using linear dicarboxylate linkers with different length and functional groups. This study illustrates how delicate changes in pore size and pore surface chemistry can effectively influence the adsorption preference of C 2 H 6 , C 2 H 4 , and C 2 H 2 by the MOFs. Importantly, clear relations between pore size/pore surface polarity and C 2 adsorption selectivities of this series of MOFs are established. In particular, HIAM-326 built on a linker decorated with trifluoromethoxy group shows notably preferential adsorption of C 2 H 6 and C 2 H 2 over C 2 H 4 , with balanced C 2 H 2 /C 2 H 4 and C 2 H 6 /C 2 H 4 selectivities. Furthermore, this endows the compound with the capability of one-step purification of C 2 H 4 from C 2 H 6 /C 2 H 4 /C 2 H 2 ternary mixtures, which is validated by breakthrough measurements where high purity C 2 H 4 (99.9%+) can be obtained directly from the separation column. Its adsorption thermodynamics and underlying selective adsorption mechanisms are further revealed by ab initio calculations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Seawater sea-sand engineered/strain-hardening cementitious composites (ECC/SHCC): Assessment and modeling of crack characteristics

Highlights: • A probabilistic model was proposed to model the crack width evolution of SS-ECC at different strain levels. • The Weibull distribution fit the crack width distribution better than the log-normal distribution. • A 5-D representation was proposed to assess the SS-ECC by considering both cracking and mechanical performance. • Larger sea-sand size and lower fiber dosage led to larger crack widths in SS-ECC under the same tensile strain. • 18-mm PE fiber led to larger crack widths in SS-ECC at strain >2%, due to a large fraction of fiber rupture. Seawater sea-sand Engineered Cementitious Composites (SS-ECC) is a new version of ECC for marine constructions facing the scarcity of freshwater and river/manufactured sand. This study aims to assess and model the crack characteristics of SS-ECC, which are critical for its applications with non-corrosive reinforcements. The influence of sea-sand size, fiber length and fiber dosage on the crack characteristics of SS-ECC was explored. A five-dimensional representation was proposed to assess the overall performance of SS-ECC, by comprehensively considering both the crack characteristics (i.e., crack width and its variation) and the mechanical properties (i.e., compressive and tensile properties). A probabilistic model was also proposed to describe the stochastic nature and evolution of crack width, and it can be used to estimate the critical tensile strain on SS-ECC for a given crack-width limit and cumulative probability. The findings and proposed methods can facilitate the design of SS-ECC in marine and coastal structures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Integrating in situ environmental covariates in an American lobster catch model to improve impact assessment

The installation and operation of floating offshore wind power is an integral component of societal transition to renewable energy generation where fixed bottom offshore wind is not possible. However, it will cause unique ecosystem changes. To disentangle the effects of offshore wind installations from the concurrent effects of climate change and the fishing practices on commercially significant resources, we must develop detailed characterizations of the resources before development occurs. In the Gulf of Maine, American lobster is the most commercially and culturally important fishery. At the time of writing, this is the largest fishery by value in North America. Our understanding of baseline localized parameters (such as catch per trap at the spatial scale of individual turbines) should be informed by relationships to environmental, biological, and survey-specific functional drivers of catch. A more mechanistic understanding of catch will allow for strategic adjustments to Post- Deployment fishery responses and ultimately, the development of research- and commercial-scale floating offshore wind development. Here, we used survey data from the New England Aqua Ventus Pre-Construction Commercial Trapping Survey to develop Generalized Additive Models describing seasonal catch per trap for legal and sublegal lobsters. We found fall catch to be nearly twice that of spring. Bottom temperature dynamics could be used to predict catch, and the Fall survey was associated with a warmer temperature regime. By using analytical tools that incorporate environmental heterogeneity, we developed monitoring methods from preconstruction baseline data that will be applicable over the post-construction operating period of an offshore wind farm.

BACI↗
DOE OSTI2020

Improved C 1 shape functions for simplex meshes

Using continuously-differentiable (C 1 ) interpolation methods previously developed for computer visualization and other applications, a new class of shape functions is constructed and applied to electrostatic (ES) Particle-In-Cell (PIC) simulations on simplex (triangle or tetrahedral) meshes. The resulting shape functions are non-negative and partition unity,and lead to a reduction of shot noise and aliasing associated with particle interpolation to and from the mesh. For an energy-conserving implementation as chosen, C 1 interpolation of the potential leads to a continuous (C 0 ) electric field, with associated improved fidelity of particle motion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Vacuum system design, construction, and operation for the Cornell High Energy Synchrotron Source upgrade

During the summer and fall 2018, the Cornell High Energy Synchrotron Source (CHESS), underwent an upgrade that recast the facility as primarily a low emittance X-ray source. The upgrade replaced one sixth of the Cornell Electron Storage Ring (CESR) with six double-bend achromats, featuring four novel CHESS Compact Undulator (CCU) insertion devices, and switched CESR to single particle beam operation. At the time of this writing, the upgraded storage ring has achieved the CHESS-U design goal of operating with 200 mA of positron current at 6.0 GeV beam energy. Additionally, seven out of eleven CHESS-U beamlines are currently in X-ray user operation. The construction and the commissioning of the new section of the CESR accelerator required novel solutions to design, fabrication, and vacuum system operations. Significant design considerations and efforts were made to minimize X-ray ‘dark-time’, returning to operation less than 1 year. This paper describes the important milestones of the process, the solutions implemented, and the present status of CHESS-U.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Covalently Linked, Two-Dimensional Quantum Dot Assemblies

Using nanoscale building blocks to construct hierarchical materials is a radical new branch point in materials discovery that promises new structures and emergent functionality. Understanding the design principles that govern nanoparticle assembly is critical to moving this field forward. By exploiting mixed ligand environments to target patchy nanoparticle surfaces, we have demonstrated a novel method of colloidal quantum dot (QD) assembly that gives rise to 2D structures. The equilibration of solutions of spherical and quasispherical QDs, including CdS, CdSe, and InP, with 2,2'-bipyridine-5,5'-diacrylic acid resulted in the preferential formation of 2D assemblies over the course of days as determined by transmission electron microscopy analysis. Small-angle X-ray scattering confirms the existence of the QD assemblies in solution. The dependence of the assembly on linker properties (length and rigidity), linker concentration, and total concentration was investigated, together with the data point to a mechanism involving ligand redistribution to create a patchy surface that maximizes the steric repulsion of neighboring QDs. By operating in an underexchanged regime, the arising patchiness results in enthalpically preferred directions of cross-linking that can be accessed by thermal equilibration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Chemical Framework to Design Linear-like Relaxors toward Capacitive Energy Storage

ABO 3 -type perovskite relaxor ferroelectrics (RFEs) have emerged as the preferred option for dielectric capacitive energy storage. However, the compositional design of RFEs with high energy density and efficiency poses significant challenges owing to the vast compositional space and the absence of general rules. Here, we present an atomic-level chemical framework that captures inherent characteristics in terms of radius and ferroelectric activity of ions. By categorizing A/B-site ions as host framework, rattling, ferroelectrically active, and blocking ions and assembling these four types of ions with specific criteria, linear-like relaxors with weak locally correlated and highly extendable unit-cell polarization vectors can be constructed. As example, we demonstrate two new compositions of Bi 0.5 K 0.5 TiO 3- based and BaTiO 3- based relaxors, showing extremely high recoverable energy densities of 17.3 and 12.1 J cm –3 , respectively, both with a high efficiency of about 90%. Further, the role of different types of ions in forming heterogeneous polar structures is identified through element-specific local structure analysis using neutron total scattering combined with reverse Monte Carlo modeling. Further, our work not only opens up new avenues toward rational compositional design of high energy storage performance lead-free RFEs but also sheds light on atomic-level manipulation of functional properties in compositionally complex ferroelectrics.

25 ENERGY STORAGE↗
DOE OSTI2020

Exploration of advanced porous organic polymers as a platform for biomimetic catalysis and molecular recognition

Nature has long been a dominant source of inspiration in the area of chemistry, serving as prototypes for the design of materials with proficient performance. In this Feature article, we present our efforts to explore porous organic polymers (POPs) as a platform for the construction of biomimetic materials to enable new technologies to achieve efficient conversions and molecular recognition. For each aspect, we first present the chemical basis of nature, followed by depicting the principles and design strategies involved for functionalizing POPs along with a summary of critical requirements for materials, culminating in a demonstration of unique features of POPs. Our endeavours in using POPs to address the fundamental scientific problems related to biomimetic catalysis and adsorption are then illustrated to show their enormous potential and capabilities for applications ranging from concerted catalysis to radionuclide sequestration. To conclude, we present a personal perspective on the challenges and opportunities in this emerging field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Inelastic scattering in isotopologues of O 2 –Ar: the effects of mass, symmetry, and density of states

The two species considered here, O 2 (oxygen molecule) and Ar (argon-atom), are both abundant components of Earth's atmosphere and hence familiar collision partners in this medium. O 2 is quite reactive and extensively involved in atmospheric chemistry, including Chapman's cycle of the formation and destruction of ozone; while Ar, like N 2 , typically plays the nevertheless crucial role of inert collider. Inert species can provide stabilization to metastable encounter-complexes through the energy transfer associated with inelastic collisions. The interplay of collision frequency and energy transfer efficiency, with state lifetimes and species concentrations, contributes to the rich and varied chemistry and dynamics found in diverse environments ranging from planetary atmospheres to the interstellar and circumstellar media. The nature and density of bound and resonance states, coupled electronic states, symmetry, and nuclear spin-statistics can all play a role. Here, we systematically investigate some of those factors by looking at the O 2 –Ar system, comparing rigorous quantum-scattering calculations for the 16 O 16 O– 40 Ar, 18 O 16 O– 40 Ar, and 18 O 18 O– 40 Ar isotope combinations. A new accurate potential energy surface was constructed for this purpose holding the O 2 bond distance at its vibrationally averaged distance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Ion temperature measurements from tomographic reconstruction of Doppler spectra in the presence of multi-component flow in two dimensions

A new ion Doppler diagnostic has been constructed to measure ion temperature profiles in the presence of multi-component flow during magnetic reconnection experiments. The inversion technique and diagnostic setup are applicable to axisymmetric plasmas with two-component flow across the measurement cross section, which occurs during magnetic reconnection. The particular design discussed here is optimized for operation on the Magnetic Reconnection eXperiment (MRX) at Princeton Plasma Physics Laboratory. To prove the viability of this diagnostic for MRX and the future Facility for Laboratory Reconnection Experiments, measurements have been taken and ion temperature and perpendicular flow profiles have been obtained. The radial velocity on MRX does not contribute to the Doppler shift of the measured spectra but does contribute to the broadening of the spectra, while toroidal flow contributes to both. It is shown that neglecting the radial velocity for vR = 20 km/s leads to an error in the ion temperature inversion of 20%. Results from MRX discharges are shown, and the impact of radial velocity on ion temperature inversions is discussed.

Goodman, A. (ORCID:0000000336396572)↗
DOE OSTI2024

The physical chemistry of solar fuels catalysis

The demonstration of effective light-driven electrochemical water splitting at the surface of a TiO 2 electrode in the seminal 1972 Honda–Fujishima publication spurred global research efforts to understand this effect and design advanced systems for solar H 2 generation from water as a carbon-free and sustainable fuel. In the 50+ years since that discovery, research investigating approaches toward the catalytic generation of the so-called “solar fuels,” i.e., not only H 2 from water but also CO 2 reduction products and NH 3 from N 2 , has expanded dramatically in scope and scale. The development of new experimental and computational methods and construction and commissioning of large-scale facilities have paved the way for important insights into the machinery of natural photosynthesis, leading to a greater understanding of the complexity of light-to-chemical energy conversion with an exquisite temporal and spatial resolution. Finally, these studies have provided the foundation for biologically inspired molecular and hybrid designs with the goal to promote the photochemical steps critical to solar fuels generation while avoiding unproductive or unnecessary pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

To dee or not to dee: costs and benefits of altering the triangularity of a steady-state DEMO-like reactor

Shaping a tokamak plasma to have a negative triangularity may allow operation in an edge-localized mode-free L-mode regime and with a larger strike-point radius, ameliorating divertor power-handling requirements. However, the shaping has a potential drawback in the form of a lower no-wall ideal beta limit, found using the MHD codes CHEASE and DCON. Using the new fusion systems code FAROES, we construct a steady-state DEMO2 reactor model. This model is essentially zero-dimensional and neglects variations in physical mechanisms like turbulence, confinement, and radiative power limits, which could have a substantial impact on the conclusions deduced herein. Keeping its shape otherwise constant, we alter the triangularity and compute the effects on the levelized cost of energy (LCOE). If the tokamak is limited to a fixed B field, then unless other means to increase performance (such as reduced turbulence, improved current drive efficiency or higher density operation) can be leveraged, a negative-triangularity reactor is strongly disfavored in the model due to lower β N limits at negative triangularity, which leads to tripling of the LCOE. However, if the reactor is constrained by divertor heat fluxes and not by magnet engineering, then a negative-triangularity reactor with higher B 0 could be favorable: we find a class of solutions at negative triangularity with lower peak heat flux and lower LCOE than those of the equivalent positive triangularity reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Raman spectroscopy of thermally perturbed carbon fibers: Discriminating spectral responses of modulus classes and defect types

The mechanical strength properties of carbon fibers are generally thought to be correlated with the presence of underlying atomic-level defects. These defects serve to break the underlying translational symmetry of the graphitic or graphene subunits of the fiber construction, resulting in the emergence of new Raman-active spectral features. However, historical attempts to classify the precise origin of defect contributions to the Raman spectra have been challenging because of indistinct and overlapping features in the carbon fiber Raman spectra. Further, while substantial research exists on high-temperature exposure in inert atmospheres for carbon fiber composites, comparatively less addresses microscale behaviors and Raman spectral alterations to monofilament carbon fibers exposed to high-temperature atmospheric environments. Here, we report Raman spectral responses of nine commercially available high-performance, polyacrylonitrile-based carbon fibers exposed to various atmospheric heat treatments. In this work, we introduce a model-independent characterization method, the integrated absolute difference, to quantify the spectral responses to heat treatment of different fiber modulus classes. We combine this new method with a newly reported strategy to standardize spectral fitting for carbon fibers. With this approach, we show that atomic-scale defects in the underlying fiber microstructure manifest in measurably distinct manners and have distinct responses to thermal perturbation. These combined approaches may lay the foundation for disentangling contributions from specific defects in the Raman spectra of carbon fibers.

36 MATERIALS SCIENCE↗
DOE OSTI2021

First Experiments and Radiographs on the MegaJOuLe Neutron Imaging Radiography (MJOLNIR) Dense Plasma Focus

We report a dense plasma focus (DPF) is a relatively compact coaxial plasma gun, which completes its discharge as a Z-pinch. These devices are designed to operate at a variety of scales to produce short (<100 ns) pulses of ions, X-rays, and/or neutrons. LLNL recently constructed and brought into operation a new device, the MegaJOuLe Neutron Imaging Radiography (MJOLNIR) DPF, which is designed for radiography and high-yield operations. This device has been commissioned and has achieved neutron yields of up to 3.8E11 neutrons/pulse at 2.5-MA peak current while operating at up to 1 MJ of stored energy in its original pulsed power configuration. MJOLNIR is equipped with a wide range of diagnostics, including nuclear activation detectors, neutron time-of-flight (nToF) detectors, a fast-framing camera, optical light gates, and a time-gated neutron and X-ray imager. LLNL also runs unique particle-in-cell (PIC) simulations of DPF discharges in the Chicago code and has gained significant insight into the various physical factors that influence neutron yield. MJOLNIR is one of the first DPFs whose design and continual upgrades are heavily influenced by model predictions. In this article, we describe insights from modeling, device operation, and recent results. Comparisons between modeling predictions and measurements, as well as X-ray and neutron images are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

To dee or not to dee: costs and benefits of altering the triangularity of a steady-state DEMO-like reactor

Shaping a tokamak plasma to have a negative triangularity may allow operation in an ELM-free L-mode regime and with a larger strike-point radius, ameliorating divertor power-handling requirements. However, the shaping has a potential drawback in the form of a lower no-wall ideal beta limit, found using the MHD codes CHEASE and DCON. Using the new fusion systems code FAROES, we construct a steady-state DEMO2 reactor model. This model is essentially zero-dimensional and neglects variations in physical mechanisms like turbulence, confinement, and radiative power limits, which could have a substantial impact on the conclusions deduced herein. Keeping its shape otherwise constant, we alter the triangularity and compute the effects on the levelized cost of energy (LCOE). If the tokamak is limited to a fixed B field, then unless other means to increase performance (such as reduced turbulence, improved current drive efficiency or higher density operation) can be leveraged, a negative-triangularity reactor is strongly disfavored in the model due to lower \beta_N limits at negative triangularity, which leads to tripling of the LCOE. However, if the reactor is constrained by divertor heat fluxes and not by magnet engineering, then a negative-triangularity reactor with higher B0 could be favorable: we find a class of solutions at negative triangularity with lower peak heat flux and lower LCOE than those of the equivalent positive triangularity reactors.

CHEASE↗
DOE OSTI2023

Generalized Aerosol/Chemistry Interface (GIANT): A Community Effort to Advance Collaborative Science across Weather and Climate Models

Atmospheric aerosol and chemistry modules are key elements in Earth system models (ESMs), as they predict air pollutant concentrations and properties that can impact human health, weather, and climate. The current uncertainty in climate projections is partly due to the inaccurate representation of aerosol direct and indirect forcing. Aerosol/chemistry parameterizations used within ESMs and other atmospheric models span large structural and parameter uncertainties that are difficult to assess independently of their host models. Moreover, there is a strong need for a standardized interface between aerosol/chemistry modules and the host model to facilitate portability of aerosol/chemistry parameterizations from one model to another, allowing not only a comparison between different parameterizations within the same modeling framework, but also quantifying the impact of different model frameworks on aerosol/chemistry predictions. To address this need, we have initiated a new community effort to coordinate the construction of a Generalized Aerosol/Chemistry Interface (GIANT) for use across weather and climate models. We aim to organize a series of community workshops and hackathons to design and build GIANT, which will serve as the interface between a range of aerosol/chemistry modules and the physics and dynamics components of atmospheric host models. GIANT will leverage ongoing efforts at the U.S. modeling centers focused on building next-generation ESMs and the international AeroCom initiative to implement this common aerosol/chemistry interface. GIANT will create transformative opportunities for scientists and students to conduct innovative research to better characterize structural and parametric uncertainties in aerosol/chemistry modules, and to develop a common set of aerosol/chemistry parameterizations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Feature issue introduction: laser driven inertial confinement fusion and bridging the gaps to inertial fusion energy systems

Major fusion research milestones have been achieved using laser driven inertial confinement fusion (ICF) in recent years, and these successes have ignited tremendous enthusiasm for inertial fusion energy (IFE). However, the complexity and difficulty of obtaining fusion ignition with a laser driver in a research setting are often underappreciated, as are the gaps to high driver efficiency, high repetition rates, and laser and target durability requirements needs for IFE. On the academic side, several new research laser systems have been constructed over the past few years, enabling researchers to probe the limits of ICF physics and engineering. This feature issue highlights the challenges and capabilities of laser research and development targeted towards advancing IFE.

Physics - Plasma physics↗