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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr(CoP)2 by Materials Project

SrCo2P2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Sr–P bond lengths are 3.20 Å. Co2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.22 Å. P3- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Co2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(CoP)2 by Materials Project

SmCo2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Sm–P bond lengths are 3.01 Å. Co+1.50+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.25 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Sm3+, four equivalent Co+1.50+, and one P3- atom. The P–P bond length is 2.51 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(CoP)2 by Materials Project

CeCo2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce3+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Ce–P bond lengths are 3.01 Å. Co+1.50+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.26 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Ce3+, four equivalent Co+1.50+, and one P3- atom. The P–P bond length is 2.45 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(CoP)2 by Materials Project

UCo2P2 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (2.95 Å) and four longer (2.97 Å) U–P bond lengths. In the second U3+ site, U3+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (2.94 Å) and four longer (2.97 Å) U–P bond lengths. There are three inequivalent Co+1.50+ sites. In the first Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five P3- atoms. There are four shorter (2.21 Å) and one longer (2.24 Å) Co–P bond lengths. In the second Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five P3- atoms. There are four shorter (2.21 Å) and one longer (2.22 Å) Co–P bond lengths. In the third Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. There are two shorter (2.29 Å) and two longer (2.31 Å) Co–P bond lengths. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent U3+ and five Co+1.50+ atoms. In the second P3- site, P3- is bonded in a 4-coordinate geometry to four U3+ and four Co+1.50+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent U3+ and five Co+1.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoP(H4O3)3 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoPS by Materials Project

CoSP is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Co3+ is bonded to three equivalent P1- and three equivalent S2- atoms to form CoP3S3 octahedra that share corners with twelve equivalent CoP3S3 octahedra, corners with three equivalent PCo3S tetrahedra, and corners with three equivalent SCo3P tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Co–P bond lengths are 2.25 Å. All Co–S bond lengths are 2.27 Å. P1- is bonded to three equivalent Co3+ and one S2- atom to form PCo3S tetrahedra that share corners with three equivalent CoP3S3 octahedra, corners with six equivalent PCo3S tetrahedra, and corners with nine equivalent SCo3P tetrahedra. The corner-sharing octahedral tilt angles are 78°. The P–S bond length is 2.17 Å. S2- is bonded to three equivalent Co3+ and one P1- atom to form SCo3P tetrahedra that share corners with three equivalent CoP3S3 octahedra, corners with six equivalent SCo3P tetrahedra, and corners with nine equivalent PCo3S tetrahedra. The corner-sharing octahedral tilt angles are 78°.

36 MATERIALS SCIENCE↗
DOE OSTI2024

CARILEC Resilient Energy Community CoP for Cybersecurity Workshop Series: Cybersecurity Assessment Tools [Slides]

For the last several years and in collaboration with CARILEC, USAID and NREL have been working to support cyber resilience at power sector utilities in Latin America and the Caribbean. Direct technical assistance with regional utilities has been a key component of USAID-NREL Partnership activities, and technical assistance has typically included a foundational cybersecurity assessment using NREL's Distributed Energy Resource Cybersecurity Framework (DER-CF) tool. The DER-CF allows organizations to benchmark and evaluate their cybersecurity posture across the areas of Governance, Technical Management, and Physical Security. To complement the activities of the newly created CAREC IT/OT and Cybersecurity Team, this webinar on cybersecurity assessment tools includes an overview of the DER-CF tool and a discussion with regional stakeholders and NREL experts on the DER-CF assessment process and other resources for cybersecurity assessments.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

ResStock Measure Documentation: Residential Single-Stage Geothermal Heat Pump (3.8 COP, 18.6 EER)

The goal of this work is to develop energy efficiency, demand flexibility, and other retrofit end-use load shapes (electricity, gas, propane, or fuel oil) that cover a majority of the high-impact, market-ready (or nearly market-ready) measures. "Measures" refers to retrofits that can be applied to buildings during modeling. An "end-use savings shape" is the difference in energy consumption between a baseline building and a building with an energy efficiency, demand flexibility, or other retrofit measure applied. It results in a time-series profile that is broken down by end use and fuel (electricity or on-site gas, propane, or fuel oil use) at each time step. ResStock is a highly granular, physics-based, bottom-up model that uses multiple data sources, statistical sampling methods, and advanced building energy simulations to estimate the annual subhourly energy consumption of the residential building stock across the United States. The baseline model intends to represent the U.S. residential building stock as it existed in 2018. Technical documentation for the inputs and assumptions in the baseline building stock model is available in Reyna et al. (2025). Calibration and validation of the baseline model results are available in the final technical report of the End-Use Load Profiles project (Wilson et al. 2022). This documentation focuses on a single end-use savings shape measure: Residential Single-Stage Geothermal Heat Pump (GHP).?Single-stage GHPs are able to reduce energy consumption by 31% for the entire stock. Additional results provided below detail how savings changes for sections of the housing stock with different base heating fuel and in different climate zones, as well as the savings potential by state for both heating and cooling. Utility bills and electric panel impacts are also shown and discussed.

15 GEOTHERMAL ENERGY↗
DOE OSTI2026

ResStock Measure Documentation: Residential Variable-Speed Geothermal Heat Pump (4.4 COP, 30.9 EER)

The goal of this work is to develop energy efficiency, demand flexibility, and other retrofit end-use load shapes (electricity, gas, propane, or fuel oil) that cover a majority of the high-impact, market-ready (or nearly market-ready) measures. "Measures" refers to retrofits that can be applied to buildings during modeling. An "end-use savings shape" is the difference in energy consumption between a baseline building and a building with an energy efficiency, demand flexibility, or other retrofit measure applied. It results in a time-series profile that is broken down by end use and fuel (electricity or on-site gas, propane, or fuel oil use) at each time step. ResStock (TM) is a highly granular, physics-based, bottom-up model that uses multiple data sources, statistical sampling methods, and advanced building energy simulations to estimate the annual subhourly energy consumption of the residential building stock across the United States. The baseline model intends to represent the U.S. residential building stock as it existed in 2018. Technical documentation for the inputs and assumptions in the baseline building stock model is available in Reyna et al. (2025). Calibration and validation of the baseline model results are available in the final technical report of the End-Use Load Profiles project (Wilson et al. 2022). This documentation focuses on a single end-use savings shape measure: Residential Variable-Speed Geothermal Heat Pump (GHP). This document provides the relevant new modeling information for variable-speed systems not previously covered in either the single-stage or two-stage documents. Variable-speed GHPs represent the most efficient option available for this technology: They provide the most savings, with up to 46% for the applicable portion of the housing stock, compared to 31% for less efficient single-stage GHPs. Additional results shown here detail how the savings change for sections of the housing stock with different base heating fuels and in different climate zones, and they show the savings potential by state for both heating and cooling. Utility bills and electric panel impacts are also shown and discussed.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Molecular‐Level Insight into the Chlorofluorocarbons Adsorption by Defective Covalent Organic Polymers

Abstract Halocarbons have important industrial applications, but because of their contribution to global warming and the fact that they can cause ozone depletion, they are considered highly toxic. Hence, the techniques that can capture and recover the used halocarbons with energy‐efficient methods have been recently received greater attention. In this contribution, we report the capture of dichlorodifluoromethane (R12), which has high global warming and ozone depletion potential, using covalent organic polymers (COPs). The defect‐engineered COPs were synthesized and demonstrated outstanding sorption capacities, ~226 wt % of R12 combined with linear‐shaped adsorption isotherms. We further identified the plausible microscopic adsorption mechanism of the investigated COPs via grand canonical Monte Carlo simulations applied to non‐defective and a collection of atomistic models of the defective COPs. The modeling work suggests that significant R12 adsorption performance is attributed to a gradual increment of porosities due to isolated/interconnected micro‐/meso‐pore channels and the change of the long‐range ordering of both COPs. The successive hierarchical‐pore‐filling mechanism promotes R12 molecular adsorption via moderate van der Waals adsorbate‐adsorbent interactions in the micropores of both COPs at low pressure followed by adsorbate‐adsorbate interactions in the extra‐voids created at moderate to high pressure ranges. This continuous pore‐filling mechanism makes defective COPs as promising sorbents for halocarbon adsorption.

Shen, Jian↗
DOE OSTI2025

Mechanisms of direct and converse piezoelectricity in ferroelectric polymers

Within the linear regime of mechanical and electrical responses, it is commonly accepted that direct and converse piezoelectric coefficients should be the same. However, we observed a consistently higher converse d 31 (∼54 pm/V) than the direct d 31 (∼42 pC/N) for a quenched, stretched, annealed, and electrically poled poly(vinylidene fluoride-co-trifluorethylene) [P(VDF-TrFE)] 52/48 mol.% sample (abbreviated as coP-52/48QSAP). On the contrary, the direct and converse d 31 values were the same for coP-65/35QSAP and coP-55/45QSAP. Small-angle X-ray scattering results showed that coP-52/48QSAP had a higher amount of relaxor-like secondary crystals (SCs) in the oriented amorphous fraction (OAF) (SC OAF ) than coP-55/45QSAP and coP-65/35QSAP. To explain the experimental observation, we performed molecular dynamics (MD) simulation of the pure PVDF (without TrFE) to estimate direct and converse piezoelectricity for the PVDF OAF. Based on the MD simulation, the direct d 31 had a plateau value around 350 pC/N for the transverse (i.e., along the chain direction) strain up to 1 %, whereas the simulated converse d 31 could be lower (for electric field E < 0.8 MV/m), equal (for E = 0.8 MV/m), or higher (for E > 0.8 MV/m) than the direct d 31 , depending on the poling electric field. From the MD simulation, both mechano-electrostriction and electrostatic interaction were identified in the OAF as the driving force for enhanced piezoelectricity in ferroelectric PVDF. In conclusion, when ferroelectric domains were formed in the OAF by electric poling, the simulated converse d 31 became higher than the direct d 31 . Combining both experimental and MD simulation results, the higher converse d 31 than direct d 31 for coP-52/48QSAP was understood qualitatively.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Experimental performance of ejector heat pump operating in the sub-critical mode

Ejector heat pump (EHP) is an efficient-energy technology with a promising potential to replace the vapor compression cycle in heating and cooling applications. It can be powered by low-grade waste heat and uses environmentally friendly working fluids. EHP has also become a viable solution in research seeking cooling applications. However, little attention has been paid to using EHP for heating purposes. In order to investigate this, a steam EHP for domestic water heating was designed and built. The coefficient of performance (COP) is evaluated at various operating and design conditions in sub-critical operational modes to achieve higher condensation temperatures. Two primary nozzles with a throat diameter of 1.5 mm and 2.0 mm were investigated. The primary nozzle is movable along the ejector’s axis, allowing investigation of its positional effects on the EHP’s COP. Further, experimental measurements revealed that using a smaller throat diameter results in a high COP and low back pressure. The EHP COP and back pressure increase when the LTE temperature increases. Using a throat diameter of 1.5 mm, the EHP COP increases as the nozzle exit position (NXP) becomes closer to the constant area section. A COP of 2.42 and a back pressure of 4.28 kPa are achieved at a high-temperature evaporator (HTE) temperature of 130 °C and a low-temperature evaporator (LTE) temperature of 30 °C using a primary nozzle with 1.5 mm.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Theoretical Analysis of a Single-Stage Gas-fired Ejector Heat Pump Water Heater

Ejector-driven systems have the ability to operate at high efficiencies, utilizing recycled thermal energy as a power source. For a typical ejector heat pump (EHP) system, the increase of the condenser temperature reduces the coefficient of performance (COP). In addition, if the condenser temperature is higher than the critical temperature, the ejector may not function. In this situation, the condenser temperature must be reduced, and an additional heater will be utilized to heat the production water from the condenser temperature to the desired temperature. In this study, a single-stage gas-fired EHP is investigated and thermodynamically modeled to optimize the system COP for the purpose of heating water by utilizing the thermal energy from the ambient air. The effects of the high-temperature evaporator (HTE) and low-temperature evaporator (LTE) on the ejector critical back pressure and the EHP system performance are examined for a HTE temperature range of 120–180 °C and LTE temperatures of 15.5, 17.5, and 19.5 °C. Our results show that an optimized COP for the EHP system exists and is dependent on HTE and LTE temperatures and the primary nozzle throat diameter. In addition, it is found that the peak EHP COP does not necessarily coincide with a large ejector COP. From this study, a maximum EHP COP of 1.31 is achieved at a HTE temperature of 170 °C and LTE temperature of 19.5 °C with a total heating capacity of 15.98 kW.

42 ENGINEERING↗
DOE OSTI2021

Porous Covalent Organic Polymers for Efficient Fluorocarbon‐Based Adsorption Cooling

Abstract Adsorption‐based cooling is an energy‐efficient renewable‐energy technology that can be driven using low‐grade industrial waste heat and/or solar heat. Here, we report the first exploration of fluorocarbon adsorption using porous covalent organic polymers (COPs) for this cooling application. High fluorocarbon R134a equilibrium capacities and unique overall linear‐shaped isotherms are revealed for the materials, namely COP‐2 and COP‐3. The key role of mesoporous defects on this unusual adsorption behavior was demonstrated by molecular simulations based on atomistic defect‐containing models built for both porous COPs. Analysis of simulated R134a adsorption isotherms for various defect‐containing atomistic models of the COPs shows a direct correlation between higher fluorocarbon adsorption capacities and increasing pore volumes induced by defects. Combined with their high porosities, excellent reversibility, fast kinetics, and large operating window, these defect‐containing porous COPs are promising for adsorption‐based cooling applications.

Zheng, Jian↗
DOE OSTI2021

Porous Covalent Organic Polymers for efficient Fluorocarbon-based Adsorption Cooling

Adsorption-based cooling is an energy-efficient renewable-energy technology that can be driven using low-grade industrial waste heat and/or solar heat. Here, we report the first exploration of fluorocarbon adsorption using porous covalent organic polymers (COPs) for this cooling application. High fluorocarbon R134a equilibrium capacities and unique overall linear-shaped isotherms are revealed for the materials, namely COP-2 and COP-3. The key role of mesoporous defects on this unusual adsorption behavior was demonstrated by molecular simulations based on atomistic defect-containing models built for both porous COPs. Analysis of simulated R134a adsorption isotherms for various defect-containing atomistic models of the COPs shows a direct correlation between higher fluorocarbon adsorption capacities and increasing pore volumes induced by defects. Combined with their high porosities, excellent reversibility, fast kinetics, and large operating window, these defect-containing porous COPs are promising for adsorption-based cooling applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗