Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “modulus”

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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Additive Manufacturing with Cellulose-Based Composites: Materials, Modeling, and Applications

Recent advances in large-scale additive manufacturing (AM) with polymer-based composites have enabled efficient production of high-performance materials. Cellulose nanomaterials (CNMs) have emerged as bio-based feedstocks due to their exceptional strength and sustainability. However, challenges such as hornification and poor dispersion in polymer matrices still limit large-scale CNM–polymer composite manufacturing, requiring novel strategies. Here, this review outlines an approach starting with atomic-level simulations to link molecular composition to key parameters like bulk density, viscosity, and modulus. These simulations provide data for finite element analysis (FEA), which informs large-scale experiments and reduces the need for extensive trials. The strategy explores how atomic interactions impact the morphology, adhesion, and mechanical properties of CNM-based composites in AM processes. The review also discusses current developments in AM, along with predictions of mechanical and thermal properties for structural applications, packaging, flexible electronics, and hydrogel scaffolds. By integrating experimental findings with molecular dynamics (MD) simulations and finite element modeling (FEM), valuable insights for material design, process optimization, and performance enhancement in CNM-based AM are provided to address ongoing challenges.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Self–Healing and Stretchable Molecular Ferroelectrics with High Expandability

The interplay between crystal ordering and stretchability is frequently encountered in contemporary materials science, particularly in the case of ferroelectrics. The inherent dilemma arises when these materials need to withstand repetitive mechanical deformations or stretching without sacrificing their crystal integrity, all while retaining their remarkable ferroelectric properties and even exhibiting self-healing capabilities. This complexity further presents a significant challenge in the design and engineering of mechanically rigid molecular ferroelectric crystals, particularly for applications where both precise crystalline structure and mechanical adaptability are crucial. In this study, the humidity-controlled expansion and contraction, dissolution, and recrystallization of a self-assembled molecular ferroelectric-in-hydrogel framework are reported. Self-healing ferroelectric-in-hydrogel networks exhibit a recyclable humidity-tailored ionic conductivity from 2.86 × 10 –6 to 1.36 × 10 –5 S cm –1 , facilitating the stretchable piezoelectric sensing. Additionally, the dynamic bond reforming interactions are observed, leading to the tailoring of Young's modulus from 452 to 170 MPa, maintaining ferroelectricity under a strain of 20% with a piezoelectric coefficient of 15.7 pC N –1 . Upon lattice contraction, the molecular contacts undergo reforming, leading to the restoration of stretchable ferroelectrics/piezoelectrics and paving the way for stretchable bioelectronics for full-body motion monitoring. The capabilities highlighted here open avenues for stretchable and self-healing ferroelectric-in-hydrogel bioelectronic technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Superior High-Temperature Strength in a Supersaturated Refractory High-Entropy Alloy

Refractory high-entropy alloys (RHEA) show promising applications at high temperatures. However, achieving high strengths at elevated temperatures above 1,173K is still challenging due to heat softening. Using intrinsic material characteristics as the alloy-design principles, a single-phase body-centered-cubic (BCC) CrMoNbV RHEA with high-temperature strengths (beyond 1,000 MPa at 1,273 K) is designed, superior to other reported RHEAs as well as conventional superalloys. The origin of the high-temperature strength is revealed by in-situ neutron scattering, transmission-electron microscopy, and first-principles calculations. The CrMoNbV’s elevated-temperature strength retention up to 1,273 K arises from its large atomic-size and elastic-modulus mismatches, the insensitive temperature dependence of elastic constants, and the dominance of non-screw character dislocations caused by the strong solute pinning, which makes the solid-solution strengthening pronounced. The alloy-design principles and the insights in this study pave the way to design RHEAs with outstanding high-temperature strength.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Digital Multiphase Composites via Additive Manufacturing

Abstract Mechanical properties of traditional engineering materials are typically coupled to each other, presenting a challenge to practitioners with multi‐dimensional material property requirements. In this work, continuous, independent control over multiple mechanical properties is demonstrated in composite materials realized using additive manufacturing. For the first time, composites additively manufactured from rigid plastic, soft elastomer, and liquid constituents are experimentally characterized, demonstrating materials which span four orders of magnitude in modulus and two orders of magnitude in toughness. By forming analytical mappings between relative concentrations of constituents at the microscale and resulting macroscale material properties, inverse material design is enabled; the method is showcased by printing artifacts with prescribed toughness and elasticity distributions. The properties of these composites are placed in the context of biological tissues, showing they have promise as mechanically plausible tissue mimics.

Smith, Lawrence T.↗
DOE OSTI2021

Direct Observation of Interfacial Mechanical Failure in Thiophosphate Solid Electrolytes with Operando X-Ray Tomography

Herein, the mechanical behaviors of Li 10 GeP 2 S 12 (LGPS) solid electrolytes during electrochemical cycling using operando X-ray tomography are investigated. It is demonstrated that the bulk mechanical decomposition of LGPS when cycled against lithium is a direct result of electrochemical reduction of the solid electrolyte at the LGPS/Li 0 interface. The reductive decomposition of LGPS during lithium plating results in the formation of low-density domains at the electrode/electrolyte interface, which impose sufficient mechanical stress on the underlying LGPS to crack the SE pellet. The critical stress developed prior to pellet fracture is significantly lower than the bulk shear modulus of LGPS, suggesting that the electrochemical instability of LGPS dramatically worsens the mechanical stability of the material near the LGPS/Li 0 interface. It is also shown that the application of a highly concentrated liquid electrolyte to the LGPS surface suppresses the reductive decomposition of LGPS, improving both the electrochemical performance and mechanical stability of the bulk LGPS solid electrolyte.

36 MATERIALS SCIENCE↗
DOE OSTI2021

MXene Reinforced Thermosetting Composite for Lightning Strike Protection of Carbon Fiber Reinforced Polymer

Ti 3 C 2 – a member of the MXenes (2D transition metal carbides and nitrides) family, is investigated as an effective filler to improve the electrical, mechanical, and thermal properties of divinylbenzene (DVB) thermosetting resin. Consequently, its performance as a lightning strike protection (LSP) coating for carbon fiber reinforced polymer (CFRP) is evaluated. Polyaniline (PANI) – dodecylbenzene sulfonic acid (DBSA) complex is used to cure the DVB resin. The synergic effect of MXenes (with surface that is negatively charged) with polyaniline (positive charge) shows electrostatic bonding and improved electrical conductivity in the composite. We also find that the addition of MXenes at 2 wt% into the PANI-DVB composite shows ≈139%, 10%, and 9% improvement in electrical conductivity, flexural strength, and flexural modulus, respectively, compared to the neat PANI-DVB composite. The composites are investigated using various material characterization techniques including Fourier transforms infrared spectroscopy, thermogravimetric analysis, differential scanning calorimetry, and scanning electron microscopy. Furthermore, MXenes-DVB is utilized to create a conductive thermosetting coating on top of a CFRP substrate and tested against a lightning strike of 100 kA. CFRP with MXenes-DVB coating reduced the surface damage from 40.61 cm 2 (reference CFRP panel) to 13.29 cm 2 (CFRP coated with MXenes-DVB).

36 MATERIALS SCIENCE↗
DOE OSTI2021

3D Printing of Transparent Silicone Elastomers

Here in this paper, inks for transparent elastomers that are formulated by matching the refractive index of silica and polysiloxanes are described. The transparent inks transmit up to ≈90% of 700 nm light through 1 cm and remain transparent when solidified. The inks and solidified materials exhibit a thermochromic effect. This thermochromic effect can be controlled by the refractive index mismatch. Transparency may increase or decrease as temperature increases, depending on the refractive index mismatch of the base polysiloxane and silica. It is found that the rheological properties of the ink depend on the distribution of silica particles, which is dictated by silica functionality, weight content, and processing. Siloxane precursors that vary in chemical functionality are introduced to tailor the mechanical properties of the printed elastomers, which obtain stretchability >65% along with a tensile modulus of 1.9 MPa. After optimizing siloxane chemistry and ink processing, the authors are able to print transparent elastomers. Potential applications are demonstrated for printed structures by printing encapsulation structures for light-emitting diodes, semitransparent dye-filled structures, a microfluidic mixing device, and a multimaterial structure that exhibits temperature-dependent camouflage.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Mechanical Consequences of Oxygen Inhibition in Vat Polymerization

Vat polymerization is a type of additive manufacturing that is used extensively to produce micro-architected structures for mechanical applications, which brings the mechanical properties of photopolymerized resins into sharp focus. However, it is known that photopolymerization is sensitive to a number of factors, perhaps the most notorious of which is oxygen inhibition. Herein, the degree to which oxygen inhibition influences the macroscopic and microscopic properties of structures made using vat polymerization is explored. This work is motivated by an observation of lattices being >4 times softer in the experiment than predicted by simulation, which is hypothesized to be due to the material at the surface being incompletely cured. Furthermore, this hypothesis is supported by four-point bending tests in which flexural modulus is found to increase with beam thickness. Nanoindentation and bulk compression studies show that this surface softening is present for three distinct resins. Importantly, it is observed that structures post-print cured in nitrogen are stiffer than those post-print cured in air, however, regardless of the post-print curing environment, printing samples in the presence of oxygen makes them softer than samples photocured in nitrogen. Collectively, these results show the outsized influence of oxygen inhibition on micro-architected structures realized using vat polymerization.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Enhancing Composite Toughness Through Hierarchical Interphase Formation

High strength and ductility are highly desired in fiber-reinforced composites, yet achieving both simultaneously remains elusive. A hierarchical architecture is developed utilizing high aspect ratio chemically transformable thermoplastic nanofibers that form covalent bonding with the matrix to toughen the fiber-matrix interphase. The nanoscale fibers are electrospun on the micrometer-scale reinforcing carbon fiber, creating a physically intertwined, randomly oriented scaffold. Unlike conventional covalent bonding of matrix molecules with reinforcing fibers, here, the nanofiber scaffold is utilized - interacting non-covalently with core fiber but bridging covalently with polymer matrix - to create a high volume fraction of immobilized matrix or interphase around core reinforcing elements. This mechanism enables efficient fiber-matrix stress transfer and enhances composite toughness. Molecular dynamics simulation reveals enhancement of the fiber-matrix adhesion facilitated by nanofiber-aided hierarchical bonding with the matrix. The elastic modulus contours of interphase regions obtained from atomic force microscopy clearly indicate the formation of stiffer interphase. These nanoengineered composites exhibit a ≈60% and ≈100% improved in-plane shear strength and toughness, respectively. This approach opens a new avenue for manufacturing toughened high-performance composites.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Electrical and Elastic Properties of Individual Single-Layer Nb 4 C 3 T x MXene Flakes

2D carbides and nitrides (MXenes) are widely recognized for their exceptional promise for numerous applications. However, physical property measurements of their individual monolayers remain very limited despite their importance for revealing the intrinsic physical properties of MXenes. The first mechanical and electrical measurements of individual single-layer flakes of Nb 4 C 3 T x MXene, which are prepared via an improved synthetic method are reported. Characterization of field-effect transistor devices based on individual single-layer Nb 4 C 3 T x flakes shows an electrical conductivity of 1024 ± 165 S cm -1 , which is two orders of magnitude higher than the previously reported values for bulk Nb 4 C 3 T x assemblies, and an electron mobility of 0.41 ± 0.27 cm 2 V -1 s -1 . Atomic force microscopy nanoindentation measurements of monolayer Nb 4 C 3 T x membranes yield an effective Young's modulus of 386 ± 13 GPa, assuming a membrane thickness of 1.26 nm. This is the highest value reported for nanoindentation measurements of solution-processable 2D materials, revealing the potential of Nb 4 C 3 T x as a primary component for various mechanical applications. In conclusion, the agreement between the mechanical properties of 2D Nb 4 C 3 T x MXene and cubic NbC suggests that the extensive experimental data on bulk carbides could be useful for identifying new MXenes with improved functional characteristics.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Soft and Stretchable Thienopyrroledione–Based Polymers via Direct Arylation

π-conjugated polymers (CPs) that are concurrently soft and stretchable are needed for deformable electronics. Molecular-level modification of indacenodithiophene (IDT) copolymers, a class of CPs that exhibit high hole mobilities (μ hole ), is an approach that can help realize intrinsically soft and stretchable CPs. Numerous examples of design strategies to adjust the stretchability of CPs exist, but imparting softness is comparatively less studied. In this study, a systematic molecular weight (MW) series is constructed on a promising candidate for soft CPs, poly(indacenodithiophene-co-thienopyrroledione) (p(IDT C16- TPD C8 )), by optimizing direct arylation polymerization conditions in hopes of improving stretchability and μhole without significantly impacting softness. We found p(IDT C16- TPD C8 ) at a degree of polymerization of 32 shows high stretchability (crack onset strain, CoS > 100%) without significantly impacting softness (elastic modulus, E = 32 MPa), which to the best of our knowledge outperforms previously reported stretchable and soft CPs. To further study how molecular-level modifications impact polymer properties, a MW series of a new extended donor unit polymer, poly(indacenodithienothiophene-co-thienopyrroledione) (p(IDTT C16- TPD C8 )), was synthesized. The IDTT C16 copolymers did not result in a greater average μ hole when comparing between p(IDTT C16- TPD C8 ) and p(IDT C16- TPD C8 ) despite their higher crystallinity observed by GIWAXS. While these findings warrant further investigation, this study points toward unique charge transport properties of IDT-based polymers.

direct arylation polymerization↗
DOE OSTI2020

Correlating Macro and Atomic Structure with Elastic Properties and Ionic Transport of Glassy Li 2 S‐P 2 S 5 (LPS) Solid Electrolyte for Solid‐State Li Metal Batteries

Abstract A combination of high ionic conductivity and facile processing suggest that sulfide‐based materials are promising solid electrolytes that have the potential to enable Li metal batteries. Although the Li 2 S‐P 2 S 5 (LPS) family of compounds exhibit desirable characteristics, it is known that Li metal preferentially propagates through microstructural defects, such as particle boundaries and/or pores. Herein, it is demonstrated that a near theoretical density (98% relative density) LPS 75‐25 glassy electrolyte exhibiting high ionic conductivity can be achieved by optimizing the molding pressure and temperature. The optimal molding pressure reduces porosity and particle boundaries while preserving the preferred amorphous structure. Moreover, molecular rearrangements and favorable Li coordination environments for conduction are attained. Consequently, the Young's Modulus approximately doubles (30 GPa) and the ionic conductivity increases by a factor of five (1.1 mS cm −1 ) compared to conventional room temperature molding conditions. It is believed that this study can provide mechanistic insight into processing‐structure‐property relationships that can be used as a guide to tune microstructural defects/properties that have been identified to have an effect on the maximum charging current that a solid electrolyte can withstand during cycling without short‐circuiting.

Garcia‐Mendez, Regina↗
DOE OSTI2021

Unlocking the Electrochemical–Mechanical Coupling Behaviors of Dendrite Growth and Crack Propagation in All-Solid-State Batteries

Dendrite growth and crack propagation are two major hurdles on the road towards the large-scale commercialization of lithium metal all-solid-state batteries (ASSBs). Due to the high multiphysics coupled nature of the underlying dendrite growth mechanism, understanding it has been difficult. Herein, for the first time, an electrochemical-mechanical model is established that directly couples dendrite growth and crack propagation from a physics-based perspective at the cell level. Results reveal that overpotential-driven stress propels a crack to penetrate through the solid electrolyte, creating vacancies for dendrite growth, leading to the short circuit of the battery. Thus, high lithiation/charging rate and low conductivity of electrolytes can accelerate the electrochemical failure of the battery. It is further discovered that Young's modulus E LLZO of the electrolyte has competing contributions to the fracture and dendrite growth; specifically, when E LLZO = 40-100 GPa, the short circuit is triggered early. A larger toughness value hinders the crack propagation and mitigates the Li dendrite growth. The developed multiphysics model provides an in-depth understanding of the coupling of crack propagation and dendrite growth within ASSBs and an insightful mechanistic design guidance map for robust and safe ASSB cells.

25 ENERGY STORAGE↗
DOE OSTI2023

High‐Loaded Electrode Filaments for Additive Manufacturing of Structural Batteries

Abstract The unique capability of 3D printing to create geometric complex structures presents a promising avenue for producing 3D electrodes aimed at enhancing power and energy densities within constrained spaces, which is challenging to achieve through traditional slurry casting methods. However, despite advancements over the years, 3D‐printed batteries have faced limitations in terms of mechanical robustness to endure significant volume changes during cycling and restricted electrochemical performance due to the lack of adequate electrode feedstock development or post‐processing treatments. Herein, a high‐loaded electrode filament with ≈65 wt.% fillers, enabling the fabrication of structural electrodes with improved electrochemical performance and superior mechanical properties, is developed. Through a combination of 3D printing and post‐processing techniques, interdigitated structures with high areal‐loading density, resulting in a full cell with an enhanced areal capacity of ≈12.28 mAh cm −2 at ≈0.92 mA cm −2 is fabricated. Moreover, the structural batteries, treated through the carbonizing process, are integrated by the carbon coating generated during carbonization, exhibiting remarkable compressive properties (with a modulus of 18.5 MPa and a strength of 1.09 MPa). Overall, the findings demonstrate the promising potential of 3D printed batteries for practical applications, while showcasing the scalability and design flexibility offered by 3D printing technology.

Chemistry↗
DOE OSTI2023

Appealing sheath‐core spun high‐performance composite carbon molecular sieve membranes

Abstract Carbon molecular sieve (CMS) membranes are attractive candidates to meet requirements for challenging gas separations. The added ability to maintain such intrinsic properties in an asymmetric morphology with a structure that we term a “Pseudo Wheel+Hub & Spoke” asymmetric form offers new opportunities. For CMS membrane, specifically, the structure provides both selective layer support and low flow resistance even for high feed pressures and fluxes in CO 2 removal from natural gas. This capability is unavailable to even rigid glassy polymers due to the much higher modulus of CMS materials. Combining precursor asymmetric hollow fiber formation and optimized pyrolysis creates a defect free CMS proof‐of‐concept membrane for this application. Facile formation of the sheath‐core spun precursor with a 6FDA‐DAM sheath and Matrimid® core also avoids the need to seal defects before or after the carbonization of the precursors. The composite CMS membrane shows CO 2 /CH 4 (50 : 50) mixed gas feed with an attractive CO 2 /CH 4 selectivity of 64.3 and CO 2 permeance of 232 GPU at 35 °C. A key additional benefit of the approach is reduction in use of the more costly high performance 6FDA‐DAM in a composite sheath‐core CMS membrane with the “Pseudo Wheel+Hub & Spoke” structure.

Cao, Yuhe↗
DOE OSTI2023

Toughening Brittle Bio‐P3HB with Synthetic P3HB of Engineered Stereomicrostructures

Abstract Poly(3‐hydroxybutyrate) (P3HB), a biologically produced, biodegradable natural polyester, exhibits excellent thermal and barrier properties but suffers from mechanical brittleness, largely limiting its applications. Here we report a mono‐material product design strategy to toughen stereoperfect, brittle bio or synthetic P3HB by blending it with stereomicrostructurally engineered P3HB. Through tacticity ([ mm ] from 0 to 100 %) and molecular weight ( M n to 788 kDa) tuning, high‐performance synthetic P3HB materials with tensile strength to ≈30 MPa, fracture strain to ≈800 %, and toughness to 126 MJ m −3 (>110× tougher than bio‐P3HB) have been produced. Physical blending of the brittle P3HB with such P3HB in 10 to 90 wt % dramatically enhances its ductility from ≈5 % to 95–450 % and optical clarity from 19 % to 85 % visible light transmittance while maintaining desirably high elastic modulus (>1 GPa), tensile strength (>35 MPa), and melting temperature (160–170 °C). This P3HB‐toughening‐P3HB methodology departs from the traditional approach of incorporating chemically distinct components to toughen P3HB, which hinders chemical or mechanical recycling, highlighting the potential of the mono‐material product design solely based on biodegradable P3HB to deliver P3HB materials with diverse performance properties.

Zhang, Zhen↗
DOE OSTI2023

Highly Flexible Dielectric Films from Solution Processable Covalent Organic Frameworks**

Abstract Covalent organic frameworks (COFs) are known to be a promising class of materials for a wide range of applications, yet their poor solution processability limits their utility in many areas. Here we report a pore engineering method using hydrophilic side chains to improve the processability of hydrazone and β‐ketoenamine‐linked COFs and the production of flexible, crystalline films. Mechanical measurements of the free‐standing COF films of COF‐PEO‐3 (hydrazone‐linked) and TFP‐PEO‐3 (β‐ketoenamine‐linked), revealed a Young's modulus of 391.7 MPa and 1034.7 MPa, respectively. The solubility and excellent mechanical properties enabled the use of these COFs in dielectric devices. Specifically, the TFP‐PEO‐3 film‐based dielectric capacitors display simultaneously high dielectric constant and breakdown strength, resulting in a discharged energy density of 11.22 J cm −3 . This work offers a general approach for producing solution processable COFs and mechanically flexible COF‐based films, which hold great potential for use in energy storage and flexible electronics applications.

Senarathna, Milinda C.↗