David A. Santos's research while affiliated with Texas A&M University and other places

Publications (15)

Article
The origins of performance degradation in batteries can be traced to atomistic phenomena, accumulated at mesoscale dimensions, and compounded up to the level of electrode architectures. Hyperspectral X-ray spectromicroscopy techniques allow for the mapping of compositional variations, and phase separation across length scales with high spatial and...
Article
In many intercalation electrodes of Li-ion batteries, lithiation induces distortive structural transformations with substantial implications for stress accumulation, capacity loss, and degraded rate performance. Here, we dope a phase-transforming electrode to stabilize a structure bearing considerable similarities to the initially lithiated phase....
Article
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Automated particle segmentation and feature analysis of experimental image data are indispensable for data-driven material science. Deep learning-based image segmentation algorithms are promising techniques to achieve this goal but are challenging to use due to the acquisition of a large number of training images. In the present work, synthetic ima...
Article
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Significance The function of cathode materials is determined by factors transcending decades of length scales, spanning the range from the crystal structure and composition of the compound to the dimensions and morphologies of the particles, their connectivity with other particles and with the conductive matrix, and their spatial location relative...
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The decarbonization of heavy industry and the emergence of renewable energy technologies are inextricably linked to access to mineral resources. As such, there is an urgent need to develop benchmarked assessments of the role of critical elements in reducing greenhouse gas emissions. Here, we explore the role of vanadium in decarbonizing constructio...
Preprint
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Automatized object identification and feature analysis of experimental image data are indispensable for data-driven material science; deep-learning-based segmentation algorithms have been shown to be a promising technique to achieve this goal. However, acquiring high-resolution experimental images and assigning labels in order to train such algorit...
Article
The unique mechanical properties and transport features of grain boundaries (GBs) in polycrystalline materials:have been widely investigated. However, studies which focus on the unique chemo-mechanics phenomena resulting from GBs’ are exceedingly sparse. In this work, a thermodynamically consistent framework has been developed to explore the multi-...
Article
Steel-reinforced concrete is ubiquitously used in construction across the world. The United Nations estimates that the worldwide energy consumption of buildings accounts for 30—40% of global energy production, underlining the importance of the judicious selection of construction materials. Much effort has focused on the use of high-strength low-all...
Article
The construction industry bears a massive carbon footprint that is largely derived from the carbon-intensive nature of key structural materials. Microalloying of structural steel represents an underappreciated strategy for enabling greater economy of materials use and thus reducing carbon emissions. Policy implemented after the Sichuan Earthquake h...
Article
Intercalation-induced phase transformations in Li-ion battery electrode materials give rise to multi-phase coexistence regimes within individual particles, generating significant lattice coherency strain across dynamically evolving interfaces. We demonstrate here that the lattice coherency strain can be alleviated by leveraging the coupling of elec...
Article
The operation of a Li-ion battery involves a concerted sequence of mass and charge transport processes, which are underpinned by alternating dilation/contraction of the active electrode materials. Several Li-ion battery failure mechanisms can be directly traced to lattice-mismatch strain arising from local compositional heterogeneities. The mechani...
Preprint
p>The manuscript presents a detailed analysis of embodied energy and carbon footprint reduction enabled by microalloying of steel, thereby providing a rich global perspective of the (outsized) role of chemical elements added in trace concentrations on the overall footprint of the construction industry. As such, the manuscript addresses an important...
Article
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The utilization of metallic anodes holds promise for unlocking high gravimetric and volumetric energy densities and is pivotal to the adoption of ‘beyond Li’ battery chemistries. Much of the promise of magnesium batteries stems from claims regarding their invulnerability to dendrite growth. Whilst considerable effort has been invested in the design...
Article
Processing, storing, and transmitting information accounts for ∼10% of global energy use; projections suggest that computational energy demands will be 10× higher than the projected global energy supply by 2040. Realizing solid-state analogs of neural circuitry, using ‘neuromorphic’ materials, holds promise for enabling a new energy-efficient compu...
Article
Full-text available
We demonstrate the growth of dendritic magnesium deposits with fractal morphologies exhibiting shear moduli in excess of values for polymeric separators upon the galvanostatic electrodeposition of metallic Mg from Grignard reagents in symmetric Mg—Mg cells. Dendritic growth is understood based on the competing influences of reaction rate, electroly...

Citations

... Recent advances in experimental synthesis techniques have opened doors to designing facile structural transformations in intercalation materials. For example, Schofield et al. [56] use a novel topochemical synthesis route to introduce dopants (e.g., Molybdenum) at selective sites of the cathode V 2 O 5 compound. By doing so, they not only tailor its lattice parameters with a precision of ∼0.01 Å but also can accurately design a facile structural transformation mitigating its mechanical degradation with repeated use [56][57][58]. ...
... For example, Schofield et al. [56] use a novel topochemical synthesis route to introduce dopants (e.g., Molybdenum) at selective sites of the cathode V 2 O 5 compound. By doing so, they not only tailor its lattice parameters with a precision of ∼0.01 Å but also can accurately design a facile structural transformation mitigating its mechanical degradation with repeated use [56][57][58]. In another study, Lee et al. [59] identify a zero-strain intercalation cathode LiCo 1−x Al x O 2 (0 < x ≤ 0.5), which offers negligible volume changes (≤ 0.02%) on intercalation. ...
... There have been a few recent studies 1-3 investigating decarbonization pathways towards carbon neutrality for China's overall energy system planning but with limited analyses of HTA sectors. Internationally, potential mitigation solutions for HTA sectors have begun to draw attention in recent years [7][8][9][10][11][12][13][14] . The decarbonization of HTA sectors is challenging because they are difficult to electrify fully and/or cost effectively 7,8 . ...
... For other typical active materials, the existence of secondary particles (or polycrystalline) and anisotropy properties leads to complicated mechanical behaviour at the particle level. [57][58][59] Meanwhile, sometimes other mechanisms are likely to cause the design to fail. For instance, the decrease of particle size increases the specific surface area of the active material and consequently leads to more severe formation of the solid electrolyte interphase (SEI), which impairs the battery performance. ...
... In addition, the solubility of vanadium and its compounds within iron and titanium-aluminum alloys underpins a greater economy of material use in construction, thereby achieving greater energy efficiency across a traditionally hard-to-abate sector. A combination of policy interventions, technological breakthroughs, and commercial circumstances have led to substantial price fluctuations of this metal in commodity markets, underscoring the need for a holistic industry-wide assessment (Rodby et al., 2020;Santos et al., 2021). Using granular industry-wide materials flow data, we map the use of vanadium in different sectors and develop a rigorous evaluation of its outsized environmental impact across disparate sectors. ...
... In 2019 it was estimated that buildings consume 30-40% of global energy production and emit 38% of global energy-related CO2 emission [1,2]. However, though energy consumption is common to all industrial, commercial, residential, and governmental buildings, the energy demands of each type vary differently, both throughout the day and throughout the year. ...
... pattern [55]. 6 In another example, the bending deformation of rodshaped electrodes (in their secondary electrode configuration) stresses the electrode particle and increases the stored elastic energy of the system [71,85]. To minimize this stored energy, phase separation microstructures comprising Li-rich/Li-poor phases form, as shown in Fig. 3(e). ...
... Phase-field modeling is used to investigate how coherency stresses and lattice transformation pathways are modified by Mo-doping of V 2 O 5 across α-/εas well as ε/δ-phase boundaries. 19 Structural transformation pathways have been analytically derived between reference (α-Li x V 2 O 5 ) and intercalated (e.g., ε-Li x V 2 O 5 ) phases (Table S4 and Figure 5a) by minimizing a distance function f: 35 ...
... The kinds of electrolyte can also affect the shapes of dendrites. For example, fibrous dendrites have been observed in Li, Na, K, and Mg metal anodes in organic electrolytes [55][56][57][58][59][60][61]. Al dendrites in AlCl 3 /1-ethyl-3-methylimidazolium chloride (AlCl 3 /[EMIm]Cl) ionic liquid electrolyte exhibited a mossy shape [62]. ...
... This first-order transition from a high-temperature rutile (R) to a low-temperature monoclinic (M1) phase [Figs. 1(a) and 1(b)] spans several orders of magnitude in resistivity [1], making VO 2 an interesting target for many potential uses [2][3][4][5][6]. Although the transition temperature of around T c = 340 K is close to room temperature, its tuning has been a major focus of research [7,8]. ...